 Entering Gaussian System, Link 0=g16
 Input=05_alphapinene_STD_M11-augccpVDZr.in
 Output=05_alphapinene_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/05_alphapinene_STD/Gau-12318.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/05_alphapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     12319.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=05_alphapinene_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 19:22:28 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "05_alphapinene_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.503651000000      0.908216000000      0.507488000000
  C                                                 0.290384000000      1.804712000000      0.536372000000
  C                                                 1.436486000000     -0.280373000000     -0.092333000000
  C                                                 2.556356000000     -1.268228000000     -0.145852000000
  C                                                 0.123938000000     -0.632595000000     -0.761632000000
  C                                                -1.078310000000     -0.328744000000      0.207184000000
  C                                                -0.867453000000      1.159910000000     -0.235542000000
  C                                                -0.320490000000      0.612788000000     -1.578519000000
  H                                                 2.411320000000      1.240625000000      0.999510000000
  H                                                 0.526867000000      2.781351000000      0.099045000000
  H                                                -0.005727000000      2.005386000000      1.572636000000
  H                                                 3.449206000000     -0.892879000000      0.355226000000
  H                                                 2.817419000000     -1.510836000000     -1.180937000000
  H                                                 2.264835000000     -2.210108000000      0.330473000000
  H                                                 0.146974000000     -1.606808000000     -1.251700000000
  C                                                -0.951378000000     -0.684230000000      1.680802000000
  C                                                -2.395364000000     -0.902700000000     -0.314912000000
  H                                                -1.749053000000      1.803451000000     -0.256178000000
  H                                                -1.103985000000      0.399461000000     -2.300386000000
  H                                                 0.473946000000      1.180887000000     -2.060869000000
  H                                                -0.016390000000     -0.343402000000      2.118644000000
  H                                                -1.008073000000     -1.767780000000      1.815303000000
  H                                                -1.775477000000     -0.242117000000      2.247181000000
  H                                                -2.569985000000     -0.690863000000     -1.368440000000
  H                                                -3.236117000000     -0.490937000000      0.249338000000
  H                                                -2.412689000000     -1.987970000000     -0.187175000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.508826   0.000000
     3  C    1.333057   2.460975   0.000000
     4  C    2.504386   3.878533   1.494266   0.000000
     5  C    2.426597   2.766403   1.514861   2.588411   0.000000
     6  C    2.878676   2.556036   2.533032   3.770684   1.573636
     7  C    2.497514   1.533691   2.720856   4.198377   2.114876
     8  C    2.786789   2.503321   2.468491   3.723842   1.554284
     9  H    1.084640   2.243003   2.110890   2.761745   3.441321
    10  H    2.151643   1.095903   3.199717   4.536286   3.543747
    11  H    2.148614   1.096264   3.174397   4.498224   3.524849
    12  H    2.655619   4.157880   2.150933   1.090480   3.517460
    13  H    3.229331   4.508649   2.146177   1.094721   2.863907
    14  H    3.214760   4.478798   2.142149   1.094992   2.874836
    15  H    3.355691   3.854379   2.183209   2.672575   1.090774
    16  C    3.152732   3.007744   3.001500   3.997739   2.669167
    17  C    4.376994   3.907430   3.888432   4.968070   2.572819
    18  H    3.459005   2.188022   3.810095   5.289984   3.114145
    19  H    3.865586   3.459218   3.433899   4.563036   2.222768
    20  H    2.780485   2.677408   2.633799   3.741909   2.258150
    21  H    2.544189   2.685533   2.646364   3.549967   2.898157
    22  H    3.896164   4.010530   3.439088   4.098882   3.034912
    23  H    3.886191   3.374042   3.973851   5.054136   3.579554
    24  H    4.761373   4.247107   4.224779   5.301645   2.762034
    25  H    4.948704   4.217654   4.689808   5.857738   3.511709
    26  H    4.920180   4.713233   4.212010   5.021070   2.932835
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.567341   0.000000
     8  C    2.156272   1.549870   0.000000
     9  H    3.907457   3.504600   3.808307   0.000000
    10  H    3.501568   2.164520   2.869652   2.595349   0.000000
    11  H    2.909133   2.174146   3.459506   2.599125   1.748499
    12  H    4.564928   4.816274   4.496333   2.458485   4.701666
    13  H    4.301270   4.648111   3.809767   3.534092   5.030691
    14  H    3.838144   4.635582   4.277487   3.518043   5.290440
    15  H    2.294147   3.117109   2.291711   4.278210   4.607035
    16  C    1.521194   2.660878   3.564190   3.934077   4.086247
    17  C    1.528608   2.568107   2.863304   5.424551   4.720490
    18  H    2.282730   1.091691   2.281898   4.382035   2.502456
    19  H    2.611293   2.213100   1.086492   4.894307   3.753711
    20  H    3.135690   2.265306   1.089278   3.622555   2.688776
    21  H    2.186680   2.920008   3.830899   3.107310   3.760052
    22  H    2.159121   3.577305   4.202131   4.626907   5.098644
    23  H    2.157576   2.992340   4.181367   4.613510   4.365391
    24  H    2.199731   2.758158   2.608422   5.843906   4.878553
    25  H    2.164305   2.927623   3.613883   5.954377   4.989039
    26  H    2.165437   3.507028   3.616224   5.924788   5.609753
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.671037   0.000000
    13  H    5.283572   1.772237   0.000000
    14  H    4.946596   1.771564   1.754620   0.000000
    15  H    4.587825   3.741209   2.673106   2.711564   0.000000
    16  C    2.853067   4.600633   4.803817   3.807324   3.264521
    17  C    4.210720   5.882872   5.319110   4.882959   2.799433
    18  H    2.534664   5.887776   5.717722   5.706497   4.026891
    19  H    4.334220   5.427151   4.503311   5.008015   2.586456
    20  H    3.756627   4.357774   3.675802   4.519364   2.921114
    21  H    2.411440   3.927076   4.503400   3.447627   3.603068
    22  H    3.911568   4.771228   4.865990   3.621091   3.281243
    23  H    2.939098   5.594667   5.869952   4.885783   4.219048
    24  H    4.742901   6.264383   5.452672   5.345081   2.869573
    25  H    4.291639   6.698232   6.303267   5.763905   3.865694
    26  H    4.983703   5.987924   5.345021   4.711320   2.798280
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.472994   0.000000
    18  H    3.252189   2.782880   0.000000
    19  H    4.128866   2.702848   2.562438   0.000000
    20  H    4.417048   3.952549   2.930225   1.777037   0.000000
    21  H    1.087231   3.448844   3.640176   4.611132   4.475736
    22  H    1.093337   2.685285   4.194494   4.652422   5.090749
    23  H    1.093338   2.717527   3.232933   4.641432   5.064004
    24  H    3.452218   1.088710   2.851782   2.050972   3.639838
    25  H    2.703051   1.093066   2.780490   3.440914   4.679382
    26  H    2.706382   1.092899   3.849681   3.446476   4.678146
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.761903   0.000000
    23  H    1.766683   1.761555   0.000000
    24  H    4.336050   3.706149   3.728985   0.000000
    25  H    3.725951   3.007782   2.487319   1.760939   0.000000
    26  H    3.709940   2.455880   3.062700   1.761424   1.763430
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9468256           1.2329030           1.1311138
 Leave Link  202 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       568.6660221298 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 19:22:31 2021, MaxMem= 10737418240 cpu:              34.5 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  2.65D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul  8 19:22:33 2021, MaxMem= 10737418240 cpu:              10.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 19:22:33 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "05_alphapinene_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 19:22:34 2021, MaxMem= 10737418240 cpu:              10.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737097578 LenY= 10736941901
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.419474396604    
 DIIS: error= 2.64D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.419474396604     IErMin= 1 ErrMin= 2.64D-03
 ErrMax= 2.64D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-02 BMatP= 1.16D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.64D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.418 Goal=   None    Shift=    0.000
 GapD=    0.418 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.16D-02 MaxDP=4.96D+00              OVMax= 1.69D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.04D-02    CP:  1.76D+00
 E= -390.431087069911     Delta-E=       -0.011612673307 Rises=F Damp=F
 DIIS: error= 3.91D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.431087069911     IErMin= 2 ErrMin= 3.91D-04
 ErrMax= 3.91D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-04 BMatP= 1.16D-02
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.91D-03
 Coeff-Com: -0.621D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.618D-01 0.106D+01
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=7.78D-03 MaxDP=1.02D+00 DE=-1.16D-02 OVMax= 3.87D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.79D-03    CP:  1.90D+00  1.18D+00
 E= -390.431384689960     Delta-E=       -0.000297620049 Rises=F Damp=F
 DIIS: error= 3.02D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.431384689960     IErMin= 3 ErrMin= 3.02D-04
 ErrMax= 3.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.42D-05 BMatP= 2.11D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.02D-03
 Coeff-Com: -0.308D-01 0.332D+00 0.699D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.307D-01 0.331D+00 0.700D+00
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=6.67D-04 MaxDP=8.12D-02 DE=-2.98D-04 OVMax= 1.70D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.32D-04    CP:  1.91D+00  1.19D+00  1.07D+00
 E= -390.431436373172     Delta-E=       -0.000051683212 Rises=F Damp=F
 DIIS: error= 1.04D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.431436373172     IErMin= 4 ErrMin= 1.04D-04
 ErrMax= 1.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-06 BMatP= 5.42D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.04D-03
 Coeff-Com: -0.819D-03-0.580D-01 0.228D+00 0.831D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.818D-03-0.579D-01 0.228D+00 0.831D+00
 Gap=     0.311 Goal=   None    Shift=    0.000
 RMSDP=1.65D-04 MaxDP=1.77D-02 DE=-5.17D-05 OVMax= 7.29D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.55D-05    CP:  1.91D+00  1.19D+00  1.13D+00  9.40D-01
 E= -390.431445046697     Delta-E=       -0.000008673525 Rises=F Damp=F
 DIIS: error= 1.74D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.431445046697     IErMin= 5 ErrMin= 1.74D-05
 ErrMax= 1.74D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.51D-07 BMatP= 7.65D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.167D-02-0.358D-01 0.167D-01 0.217D+00 0.801D+00
 Coeff:      0.167D-02-0.358D-01 0.167D-01 0.217D+00 0.801D+00
 Gap=     0.311 Goal=   None    Shift=    0.000
 RMSDP=2.66D-05 MaxDP=1.12D-03 DE=-8.67D-06 OVMax= 2.23D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.85D-05    CP:  1.91D+00  1.19D+00  1.13D+00  9.66D-01  1.12D+00
 E= -390.431445439893     Delta-E=       -0.000000393196 Rises=F Damp=F
 DIIS: error= 5.52D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.431445439893     IErMin= 6 ErrMin= 5.52D-06
 ErrMax= 5.52D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.39D-08 BMatP= 3.51D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.558D-03-0.539D-02-0.154D-01-0.530D-02 0.265D+00 0.761D+00
 Coeff:      0.558D-03-0.539D-02-0.154D-01-0.530D-02 0.265D+00 0.761D+00
 Gap=     0.311 Goal=   None    Shift=    0.000
 RMSDP=1.14D-05 MaxDP=1.21D-03 DE=-3.93D-07 OVMax= 1.02D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.45D-06    CP:  1.91D+00  1.19D+00  1.13D+00  9.69D-01  1.16D+00
                    CP:  9.85D-01
 E= -390.431445493485     Delta-E=       -0.000000053592 Rises=F Damp=F
 DIIS: error= 2.57D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.431445493485     IErMin= 7 ErrMin= 2.57D-06
 ErrMax= 2.57D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.82D-09 BMatP= 4.39D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.248D-04 0.154D-02-0.694D-02-0.217D-01 0.843D-02 0.255D+00
 Coeff-Com:  0.764D+00
 Coeff:      0.248D-04 0.154D-02-0.694D-02-0.217D-01 0.843D-02 0.255D+00
 Coeff:      0.764D+00
 Gap=     0.311 Goal=   None    Shift=    0.000
 RMSDP=5.52D-06 MaxDP=6.55D-04 DE=-5.36D-08 OVMax= 3.17D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.15D-06    CP:  1.91D+00  1.19D+00  1.13D+00  9.68D-01  1.17D+00
                    CP:  1.01D+00  1.20D+00
 E= -390.431445499619     Delta-E=       -0.000000006134 Rises=F Damp=F
 DIIS: error= 5.29D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.431445499619     IErMin= 8 ErrMin= 5.29D-07
 ErrMax= 5.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.98D-10 BMatP= 4.82D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.601D-04 0.119D-02-0.777D-03-0.702D-02-0.339D-01-0.881D-02
 Coeff-Com:  0.249D+00 0.800D+00
 Coeff:     -0.601D-04 0.119D-02-0.777D-03-0.702D-02-0.339D-01-0.881D-02
 Coeff:      0.249D+00 0.800D+00
 Gap=     0.311 Goal=   None    Shift=    0.000
 RMSDP=1.30D-06 MaxDP=1.02D-04 DE=-6.13D-09 OVMax= 1.32D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.82D-07    CP:  1.91D+00  1.19D+00  1.13D+00  9.68D-01  1.18D+00
                    CP:  1.02D+00  1.32D+00  1.09D+00
 E= -390.431445500306     Delta-E=       -0.000000000688 Rises=F Damp=F
 DIIS: error= 1.35D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.431445500306     IErMin= 9 ErrMin= 1.35D-07
 ErrMax= 1.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-11 BMatP= 4.98D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.232D-05-0.837D-04 0.399D-03 0.175D-02-0.181D-02-0.170D-01
 Coeff-Com: -0.568D-01 0.349D-01 0.104D+01
 Coeff:     -0.232D-05-0.837D-04 0.399D-03 0.175D-02-0.181D-02-0.170D-01
 Coeff:     -0.568D-01 0.349D-01 0.104D+01
 Gap=     0.311 Goal=   None    Shift=    0.000
 RMSDP=6.68D-07 MaxDP=7.94D-05 DE=-6.88D-10 OVMax= 4.22D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.43D-07    CP:  1.91D+00  1.19D+00  1.13D+00  9.68D-01  1.18D+00
                    CP:  1.01D+00  1.36D+00  1.18D+00  1.29D+00
 E= -390.431445500447     Delta-E=       -0.000000000140 Rises=F Damp=F
 DIIS: error= 4.25D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.431445500447     IErMin=10 ErrMin= 4.25D-08
 ErrMax= 4.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-12 BMatP= 2.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.396D-05-0.115D-03 0.157D-03 0.105D-02 0.211D-02-0.316D-02
 Coeff-Com: -0.360D-01-0.457D-01 0.260D+00 0.821D+00
 Coeff:      0.396D-05-0.115D-03 0.157D-03 0.105D-02 0.211D-02-0.316D-02
 Coeff:     -0.360D-01-0.457D-01 0.260D+00 0.821D+00
 Gap=     0.311 Goal=   None    Shift=    0.000
 RMSDP=1.91D-07 MaxDP=2.15D-05 DE=-1.40D-10 OVMax= 1.28D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.43D-08    CP:  1.91D+00  1.19D+00  1.13D+00  9.68D-01  1.18D+00
                    CP:  1.01D+00  1.37D+00  1.20D+00  1.39D+00  1.23D+00
 E= -390.431445500385     Delta-E=        0.000000000061 Rises=F Damp=F
 DIIS: error= 1.47D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -390.431445500447     IErMin=11 ErrMin= 1.47D-08
 ErrMax= 1.47D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.94D-13 BMatP= 2.41D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.130D-05-0.216D-04-0.412D-05 0.862D-04 0.641D-03 0.108D-02
 Coeff-Com: -0.406D-02-0.116D-01-0.463D-01 0.186D+00 0.875D+00
 Coeff:      0.130D-05-0.216D-04-0.412D-05 0.862D-04 0.641D-03 0.108D-02
 Coeff:     -0.406D-02-0.116D-01-0.463D-01 0.186D+00 0.875D+00
 Gap=     0.311 Goal=   None    Shift=    0.000
 RMSDP=5.64D-08 MaxDP=7.72D-06 DE= 6.14D-11 OVMax= 4.63D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.25D-08    CP:  1.91D+00  1.19D+00  1.13D+00  9.68D-01  1.18D+00
                    CP:  1.01D+00  1.37D+00  1.20D+00  1.42D+00  1.36D+00
                    CP:  1.20D+00
 E= -390.431445500404     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 5.09D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -390.431445500447     IErMin=12 ErrMin= 5.09D-09
 ErrMax= 5.09D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.70D-14 BMatP= 2.94D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.390D-06 0.125D-04-0.197D-04-0.118D-03-0.235D-03 0.611D-03
 Coeff-Com:  0.376D-02 0.589D-02-0.412D-01-0.831D-01 0.945D-01 0.102D+01
 Coeff:     -0.390D-06 0.125D-04-0.197D-04-0.118D-03-0.235D-03 0.611D-03
 Coeff:      0.376D-02 0.589D-02-0.412D-01-0.831D-01 0.945D-01 0.102D+01
 Gap=     0.311 Goal=   None    Shift=    0.000
 RMSDP=2.17D-08 MaxDP=2.42D-06 DE=-1.88D-11 OVMax= 2.04D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.21D-09    CP:  1.91D+00  1.19D+00  1.13D+00  9.68D-01  1.18D+00
                    CP:  1.01D+00  1.37D+00  1.20D+00  1.43D+00  1.41D+00
                    CP:  1.34D+00  1.41D+00
 E= -390.431445500409     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 1.36D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -390.431445500447     IErMin=13 ErrMin= 1.36D-09
 ErrMax= 1.36D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-15 BMatP= 2.70D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D-06 0.348D-05-0.369D-05-0.256D-04-0.867D-04 0.866D-04
 Coeff-Com:  0.843D-03 0.195D-02-0.540D-02-0.250D-01-0.375D-01 0.215D+00
 Coeff-Com:  0.851D+00
 Coeff:     -0.142D-06 0.348D-05-0.369D-05-0.256D-04-0.867D-04 0.866D-04
 Coeff:      0.843D-03 0.195D-02-0.540D-02-0.250D-01-0.375D-01 0.215D+00
 Coeff:      0.851D+00
 Gap=     0.311 Goal=   None    Shift=    0.000
 RMSDP=3.29D-09 MaxDP=2.81D-07 DE=-4.55D-12 OVMax= 3.89D-08

 SCF Done:  E(RM11) =  -390.431445500     A.U. after   13 cycles
            NFock= 13  Conv=0.33D-08     -V/T= 2.0066
 KE= 3.878609939815D+02 PE=-2.041097422533D+03 EE= 6.941389609210D+02
 Leave Link  502 at Thu Jul  8 19:28:21 2021, MaxMem= 10737418240 cpu:            5529.5 elap:             346.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.95092629D+02

 Leave Link  801 at Thu Jul  8 19:28:21 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 1.94D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.65D-01 3.96D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 3.30D-02 3.91D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 2.27D-03 6.89D-03.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 1.31D-04 1.43D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 1.17D-05 4.62D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 6.98D-07 1.15D-04.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 2.23D-08 1.99D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 5.51D-10 3.11D-06.
     11 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 1.24D-11 4.09D-07.
      7 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 2.66D-13 6.88D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.124693D+03
      2 -0.174779D+00  0.121527D+03
      3  0.345811D+00  0.463368D+01  0.109103D+03
 Isotropic polarizability for W=    0.093368      118.44 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.117814D+02 -0.366678D+02  0.207192D+01
      2   0.537023D+01  0.183758D+02  0.746134D+01
      3  -0.171516D+02  0.182919D+02 -0.953327D+01
      4  -0.368929D+02  0.341154D+02  0.266058D+02
      5   0.145857D+02  0.239560D+02 -0.198940D+02
      6   0.989690D+01  0.182903D+02  0.876248D+00
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.142447D+00  0.285883D+01  0.460322D+01
      2   0.396837D+01  0.153266D+02 -0.360181D+01
      3   0.744539D+01 -0.223484D+02 -0.144312D+02
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.264981D+01  0.108289D+02  0.174157D+02
      2  -0.125138D+02  0.167089D+02 -0.274236D+01
      3  -0.225149D+00 -0.287452D+02 -0.140591D+02
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.214762D+00 -0.191741D+01 -0.863333D+00
      2  -0.191741D+01 -0.310961D+01  0.255160D+01
      3  -0.863333D+00  0.255160D+01  0.407731D+01
 OR G Eigenvalues:    -4.5209     0.0043     5.2694  Iso=    -0.2510
 Eigenvectors:
   (1)   0.356274   0.904923  -0.232773
   (2)   0.897547  -0.262182   0.354500
   (3)  -0.259766   0.335224   0.905619
 w=    0.093368 a.u., Optical Rotation Beta=     -0.2510 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =     -103.84 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 2.70D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.31D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 3.67D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.80D-02 1.37D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 2.16D-03 5.80D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 2.90D-05 5.88D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 3.74D-07 7.19D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 4.45D-09 5.82D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 5.72D-11 7.31D-07.
     30 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 5.92D-13 5.89D-08.
     17 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 7.16D-15 6.61D-09.
      1 vectors produced by pass  9 Test12= 3.55D-14 2.78D-09 XBig12= 4.53D-16 3.18D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 8.99D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 8.99D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.37D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.124693D+03 -0.174779D+00  0.345811D+00
      2  -0.174779D+00  0.121527D+03  0.463368D+01
      3   0.345811D+00  0.463368D+01  0.109103D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.142447D+00  0.285883D+01  0.460322D+01
      2   0.396837D+01  0.153266D+02 -0.360181D+01
      3   0.744539D+01 -0.223484D+02 -0.144312D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.117814D+02 -0.366678D+02  0.207192D+01
      2   0.537023D+01  0.183758D+02  0.746134D+01
      3  -0.171516D+02  0.182919D+02 -0.953327D+01
      4  -0.368929D+02  0.341154D+02  0.266058D+02
      5   0.145857D+02  0.239560D+02 -0.198940D+02
      6   0.989690D+01  0.182903D+02  0.876248D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.345749D+01  0.969982D-01 -0.180720D+01  0.200706D+01 -0.479347D+00
      2   0.969982D-01 -0.721580D+00 -0.265526D+01 -0.479347D+00  0.160299D+02
      3  -0.180720D+01 -0.265526D+01 -0.207435D+01 -0.220454D+01  0.309005D+01
                 6             7             8             9            10 
      1  -0.220454D+01 -0.139323D+01 -0.302080D+01 -0.183736D+01  0.950022D+00
      2   0.309005D+01 -0.302080D+01  0.239269D+01  0.360866D+01  0.836172D+00
      3   0.328807D+01 -0.183736D+01  0.360866D+01  0.549424D+01  0.546650D+00
                11            12            13            14            15 
      1   0.836172D+00  0.546650D+00  0.174622D+01  0.925442D-02  0.218170D+01
      2   0.676403D+00  0.346300D+01  0.925442D-02 -0.117058D+02  0.626715D+00
      3   0.346300D+01  0.300052D+01  0.218170D+01  0.626715D+00 -0.152812D+01
                16            17            18            19            20 
      1   0.114891D+01  0.311227D+01  0.294946D+01  0.241023D+01 -0.254975D+01
      2   0.311227D+01  0.254912D+01 -0.397229D+01 -0.254975D+01  0.120982D+01
      3   0.294946D+01 -0.397229D+01 -0.600298D+01 -0.326862D+00  0.115542D+01
                21            22            23            24            25 
      1  -0.326862D+00 -0.243633D+01  0.101980D+01  0.141147D+01 -0.102011D+01
      2   0.115542D+01  0.101980D+01 -0.160086D+02 -0.419053D+01  0.548328D+00
      3   0.735088D+00  0.141147D+01 -0.419053D+01 -0.428150D+01  0.157986D+01
                26            27            28            29            30 
      1   0.548328D+00  0.157986D+01 -0.453858D+01 -0.721438D+00 -0.123862D+01
      2  -0.453711D+01 -0.387556D+01 -0.721438D+00 -0.373798D+00 -0.286532D+01
      3  -0.387556D+01 -0.447080D+01 -0.123862D+01 -0.286532D+01 -0.269894D+01
                31            32            33            34            35 
      1  -0.266236D+01 -0.205217D+01 -0.270789D+01 -0.146319D+01 -0.275064D+01
      2  -0.205217D+01  0.980080D+01 -0.400605D+00 -0.275064D+01 -0.901451D+00
      3  -0.270789D+01 -0.400605D+00  0.190463D+01 -0.432579D+01  0.396153D+01
                36            37            38            39            40 
      1  -0.432579D+01  0.467803D+01  0.186935D+01 -0.280201D+01 -0.214458D+01
      2   0.396153D+01  0.186935D+01  0.110104D+01 -0.961956D+00  0.933911D-01
      3   0.491565D+01 -0.280201D+01 -0.961956D+00  0.366695D+01 -0.196332D+01
                41            42            43            44            45 
      1   0.933911D-01 -0.196332D+01 -0.600930D+01 -0.123030D+01  0.258753D+01
      2   0.431373D+01  0.411946D+01 -0.123030D+01  0.359653D+01  0.324568D+00
      3   0.411946D+01 -0.159406D+01  0.258753D+01  0.324568D+00  0.381868D+00
                46            47            48            49            50 
      1  -0.403225D+01  0.153804D+01  0.526244D+01  0.369294D+01 -0.175146D+01
      2   0.153804D+01 -0.144917D+01  0.645567D+00 -0.175146D+01 -0.828653D+01
      3   0.526244D+01  0.645567D+00 -0.200253D+01  0.100696D+01  0.178391D+01
                51            52            53            54            55 
      1   0.100696D+01  0.785591D+01  0.112618D+01 -0.165661D+01  0.288780D+01
      2   0.178391D+01  0.112618D+01  0.257586D+01  0.155889D+01 -0.416879D+01
      3   0.109048D+01 -0.165661D+01  0.155889D+01 -0.251661D+01 -0.157404D+01
                56            57            58            59            60 
      1  -0.416879D+01 -0.157404D+01 -0.388201D+01  0.492024D+01 -0.177987D+01
      2   0.466565D+01 -0.154308D+01  0.492024D+01  0.361445D+01 -0.263363D+01
      3  -0.154308D+01 -0.159214D+01 -0.177987D+01 -0.263363D+01  0.301198D+01
                61            62            63            64            65 
      1  -0.170878D+01 -0.189828D+01 -0.180287D+01  0.185955D+00 -0.902765D+00
      2  -0.189828D+01 -0.324656D+01  0.173463D+01 -0.902765D+00 -0.249100D+01
      3  -0.180287D+01  0.173463D+01  0.353868D+01  0.365841D+01  0.405471D+01
                66            67            68            69            70 
      1   0.365841D+01  0.613701D+00 -0.195142D+01  0.467262D+01  0.306246D+01
      2   0.405471D+01 -0.195142D+01  0.121282D+01 -0.114386D+01  0.302278D+01
      3   0.850977D+00  0.467262D+01 -0.114386D+01 -0.761188D+00  0.123148D+01
                71            72            73            74            75 
      1   0.302278D+01  0.123148D+01  0.797599D+01  0.266459D+01  0.337341D+01
      2  -0.834663D+00 -0.141240D+01  0.266459D+01  0.120420D+01  0.130402D+01
      3  -0.141240D+01 -0.682720D+00  0.337341D+01  0.130402D+01  0.231480D+01
                76            77            78            79            80 
      1   0.200208D+01  0.145590D+01  0.992524D+00  0.346868D+01  0.168100D+01
      2   0.145590D+01  0.207860D+01  0.150443D+01  0.168100D+01  0.192406D+01
      3   0.992524D+00  0.150443D+01  0.133468D+01  0.231646D+01  0.851495D+00
                81            82            83            84            85 
      1   0.231646D+01  0.935082D+00  0.148609D+01 -0.406569D+00  0.133914D+01
      2   0.851495D+00  0.148609D+01  0.221838D+01 -0.322171D+00  0.126322D+01
      3   0.140968D+01 -0.406569D+00 -0.322171D+00 -0.132590D+00 -0.309139D+00
                86            87            88            89            90 
      1   0.126322D+01 -0.309139D+00 -0.802432D+00 -0.738356D+00 -0.117336D+00
      2   0.137754D+02 -0.102271D+01 -0.738356D+00 -0.379661D+01  0.225958D+01
      3  -0.102271D+01  0.103164D+01 -0.117336D+00  0.225958D+01 -0.102588D+00
                91            92            93            94            95 
      1  -0.124889D+01  0.708173D+00  0.144902D+01  0.137044D+00 -0.710505D+00
      2   0.708173D+00 -0.775434D+00 -0.123224D+01 -0.710505D+00  0.363217D+01
      3   0.144902D+01 -0.123224D+01 -0.189228D+01 -0.559088D+00  0.217205D+01
                96            97            98            99           100 
      1  -0.559088D+00  0.156631D+01 -0.138550D+01 -0.177095D+01  0.894329D+01
      2   0.217205D+01 -0.138550D+01  0.347688D+01  0.440067D+01  0.165010D-01
      3   0.179966D+01 -0.177095D+01  0.440067D+01  0.853699D+01  0.219789D+01
               101           102           103           104           105 
      1   0.165010D-01  0.219789D+01  0.295953D+01  0.656875D+00  0.660484D+00
      2   0.735396D+00  0.107868D+00  0.656875D+00  0.386517D+00  0.516859D+00
      3   0.107868D+00  0.161512D+01  0.660484D+00  0.516859D+00  0.466392D+00
               106           107           108           109           110 
      1   0.369749D+01 -0.133390D+00  0.227172D+01  0.235635D+01 -0.922419D+00
      2  -0.133390D+00  0.789116D+00 -0.208926D+00 -0.922419D+00  0.363951D+00
      3   0.227172D+01 -0.208926D+00  0.115819D+01 -0.170378D+01  0.101848D+01
               111           112           113           114           115 
      1  -0.170378D+01 -0.729070D+00  0.164150D+01  0.110695D+01 -0.348701D+01
      2   0.101848D+01  0.164150D+01 -0.319778D+01 -0.160849D+01  0.276868D+01
      3   0.178287D+01  0.110695D+01 -0.160849D+01 -0.169725D+01  0.351983D+01
               116           117           118           119           120 
      1   0.276868D+01  0.351983D+01 -0.455191D+00 -0.506033D+00  0.557133D+00
      2  -0.309890D+01 -0.352886D+01 -0.506033D+00 -0.200314D+01  0.464550D+00
      3  -0.352886D+01 -0.748831D+01  0.557133D+00  0.464550D+00 -0.142238D+00
               121           122           123           124           125 
      1  -0.178498D+01  0.167634D+01  0.339930D+00  0.974372D+00 -0.130085D+00
      2   0.167634D+01 -0.103712D+02  0.184798D+01 -0.130085D+00  0.319215D+01
      3   0.339930D+00  0.184798D+01 -0.152890D+01  0.664809D+00 -0.240169D+01
               126           127           128           129           130 
      1   0.664809D+00  0.418902D+00 -0.119292D+01 -0.175857D+00 -0.162461D+01
      2  -0.240169D+01 -0.119292D+01 -0.311375D+00  0.123284D+00  0.780796D+00
      3   0.649832D+00 -0.175857D+00  0.123284D+00 -0.175671D+00  0.406385D+00
               131           132           133           134           135 
      1   0.780796D+00  0.406385D+00 -0.541110D-01  0.501266D+00  0.109488D+00
      2  -0.792756D+01 -0.337727D+01  0.501266D+00 -0.282084D+01 -0.224562D+01
      3  -0.337727D+01 -0.220887D+01  0.109488D+00 -0.224562D+01 -0.233397D+01
               136           137           138           139           140 
      1  -0.483695D+00 -0.249608D+01 -0.467438D+01 -0.338218D+01  0.987036D+00
      2  -0.249608D+01  0.636265D+00  0.240343D+00  0.987036D+00  0.681512D+01
      3  -0.467438D+01  0.240343D+00  0.146269D+01  0.402122D+00 -0.266701D+01
               141           142           143           144           145 
      1   0.402122D+00 -0.475233D+01  0.127802D+00  0.154467D+01  0.152229D+01
      2  -0.266701D+01  0.127802D+00 -0.143517D+01 -0.197309D+01 -0.304961D+01
      3  -0.204531D+01  0.154467D+01 -0.197309D+01  0.209779D+01 -0.412791D+01
               146           147           148           149           150 
      1  -0.304961D+01 -0.412791D+01 -0.456382D+01  0.159221D+01 -0.244469D+00
      2   0.898720D-01 -0.267033D+00  0.159221D+01  0.753454D+01 -0.107102D+01
      3  -0.267033D+00  0.147489D+01 -0.244469D+00 -0.107102D+01 -0.199705D+01
               151           152           153           154           155 
      1  -0.508641D+01 -0.170904D+00  0.226379D+01 -0.707320D+01  0.452969D+01
      2  -0.170904D+00 -0.136832D+01 -0.162367D+01  0.452969D+01 -0.414767D+01
      3   0.226379D+01 -0.162367D+01  0.462482D+01  0.612749D-01  0.286574D+00
               156           157           158           159           160 
      1   0.612749D-01  0.343192D+01 -0.366101D+01  0.392264D+00  0.250942D+00
      2   0.286574D+00 -0.366101D+01  0.451257D+01  0.618087D-01  0.290290D+00
      3  -0.695157D+00  0.392264D+00  0.618087D-01  0.430206D+00 -0.982679D+00
               161           162           163           164           165 
      1   0.290290D+00 -0.982679D+00 -0.402488D+01 -0.346348D+00 -0.329558D+01
      2   0.246338D+00  0.961540D+00 -0.346348D+00 -0.563284D+00 -0.241046D+00
      3   0.961540D+00 -0.239965D+00 -0.329558D+01 -0.241046D+00 -0.405766D+01
               166           167           168           169           170 
      1  -0.835944D+00 -0.696932D+00 -0.700186D+00 -0.261939D+01 -0.253325D+00
      2  -0.696932D+00 -0.489551D+00 -0.757994D+00 -0.253325D+00 -0.510426D+00
      3  -0.700186D+00 -0.757994D+00 -0.670096D+00 -0.342261D+01 -0.781052D-01
               171           172           173           174           175 
      1  -0.342261D+01  0.327327D+01  0.164678D+01 -0.279945D+01  0.123373D+01
      2  -0.781052D-01  0.164678D+01  0.192894D+01 -0.209370D+01  0.147797D+01
      3  -0.644168D+01 -0.279945D+01 -0.209370D+01  0.338792D+01 -0.162356D+01
               176           177           178           179           180 
      1   0.147797D+01 -0.162356D+01 -0.145490D+01 -0.992247D+00  0.165154D+01
      2   0.247675D+01 -0.202967D+01 -0.992247D+00 -0.116485D+01  0.182627D+01
      3  -0.202967D+01  0.254607D+01  0.165154D+01  0.182627D+01 -0.422750D+01
               181           182           183           184           185 
      1   0.468342D+01  0.103492D+01  0.160049D+01  0.160373D+01  0.697540D+00
      2   0.103492D+01  0.918341D+00 -0.201119D+00  0.697540D+00 -0.403216D-01
      3   0.160049D+01 -0.201119D+00  0.280139D+01 -0.299148D-01  0.540594D+00
               186           187           188           189           190 
      1  -0.299148D-01  0.180988D+01  0.961024D-01  0.164704D+01 -0.416445D+00
      2   0.540594D+00  0.961024D-01  0.548138D+00  0.585119D+00 -0.876023D+00
      3   0.130120D+01  0.164704D+01  0.585119D+00  0.220485D+01  0.955952D+00
               191           192           193           194           195 
      1  -0.876023D+00  0.955952D+00 -0.107025D+01 -0.108699D+01  0.395893D+00
      2  -0.390485D+00  0.122958D+00 -0.108699D+01 -0.863087D+01  0.335048D+01
      3   0.122958D+00 -0.477495D+00  0.395893D+00  0.335048D+01 -0.265258D+01
               196           197           198           199           200 
      1   0.447399D+00  0.817895D-01 -0.364833D+00 -0.486233D+01  0.918529D+00
      2   0.817895D-01  0.108593D+01 -0.129294D+01  0.918529D+00 -0.113058D+01
      3  -0.364833D+00 -0.129294D+01  0.100716D+01  0.373393D+01 -0.385208D+00
               201           202           203           204           205 
      1   0.373393D+01  0.199938D+01 -0.112305D+01 -0.126420D+01  0.253399D+01
      2  -0.385208D+00 -0.112305D+01  0.255318D+00  0.122044D+01 -0.415460D+00
      3  -0.401269D+01 -0.126420D+01  0.122044D+01  0.204743D+01 -0.280062D+01
               206           207           208           209           210 
      1  -0.415460D+00 -0.280062D+01 -0.116234D+01  0.519723D+00 -0.121680D+01
      2   0.756157D+00  0.732992D+00  0.519723D+00 -0.559863D-01 -0.343127D-03
      3   0.732992D+00  0.407261D+01 -0.121680D+01 -0.343127D-03 -0.155697D+01
               211           212           213           214           215 
      1   0.116714D+01 -0.323951D+00  0.135858D+00 -0.234109D+01 -0.481628D+00
      2  -0.323951D+00 -0.323943D+00 -0.799002D+00 -0.481628D+00 -0.107281D+01
      3   0.135858D+00 -0.799002D+00  0.775589D+00 -0.246405D+01  0.297805D+00
               216           217           218           219           220 
      1  -0.246405D+01 -0.857076D+01  0.788759D+00  0.233010D+01  0.346559D+01
      2   0.297805D+00  0.788759D+00 -0.972039D+00 -0.269069D+00 -0.136873D+01
      3  -0.686639D+01  0.233010D+01 -0.269069D+00 -0.151600D+01 -0.611337D+00
               221           222           223           224           225 
      1  -0.136873D+01 -0.611337D+00  0.446640D+01 -0.478277D-01 -0.216427D+01
      2   0.131168D+00  0.597831D+00 -0.478277D-01  0.894367D+00  0.439550D+00
      3   0.597831D+00  0.904219D+00 -0.216427D+01  0.439550D+00  0.141131D+01
               226           227           228           229           230 
      1  -0.894562D+00 -0.922144D+00  0.422347D+00 -0.228310D+01 -0.306649D+01
      2  -0.922144D+00 -0.362720D+00  0.507874D-01 -0.306649D+01 -0.958768D+01
      3   0.422347D+00  0.507874D-01 -0.665169D-01 -0.107665D+00  0.269181D+00
               231           232           233           234 
      1  -0.107665D+00  0.909525D+00  0.292252D+00 -0.627689D+00
      2   0.269181D+00  0.292252D+00  0.760386D+00 -0.930126D+00
      3  -0.967313D+00 -0.627689D+00 -0.930126D+00 -0.130164D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.153073D+01  0.167781D+01  0.316716D+00  0.305879D+01  0.917540D+01
      2   0.196532D+01 -0.186640D+01 -0.199409D+01  0.684665D-02  0.875400D+01
      3  -0.234036D+01 -0.536384D+01  0.131194D+01  0.131396D+01 -0.426801D+02
                 6             7             8             9            10 
      1  -0.223976D+01  0.910593D+00  0.483188D+01 -0.134291D+00 -0.115896D+01
      2   0.112961D+02 -0.916641D+01  0.138508D+02  0.152170D+02 -0.901978D+00
      3  -0.120996D+02  0.117106D+01 -0.102038D+02 -0.136517D+02  0.369724D+01
                11            12            13            14            15 
      1  -0.776363D+01 -0.431436D+01 -0.452215D+01 -0.170007D+02  0.840569D+00
      2   0.257825D+01  0.283517D+01 -0.771581D-01 -0.396028D+01 -0.227508D+01
      3  -0.469371D+01 -0.280084D+01  0.526775D+01  0.799243D+01  0.621954D+01
                16            17            18            19            20 
      1  -0.573859D+01  0.180045D+02  0.144417D+02 -0.143830D+01 -0.181276D+01
      2  -0.900089D+00 -0.275960D+01 -0.540285D+01 -0.588800D+00  0.561273D+01
      3  -0.643556D+00  0.955792D+01  0.112119D+02  0.943105D+01 -0.659966D+01
                21            22            23            24            25 
      1   0.101544D+00 -0.247855D+01 -0.115424D+02 -0.183239D+01 -0.254561D+01
      2   0.173809D+01  0.445604D+01 -0.104755D+02 -0.122637D+02 -0.499934D+01
      3  -0.462176D+01  0.364766D+01  0.419900D+02  0.133002D+02 -0.297438D+01
                26            27            28            29            30 
      1   0.445143D+01  0.275026D+01 -0.162486D+01 -0.580728D+01 -0.495402D+01
      2  -0.101141D+02 -0.165155D+02 -0.549307D+01 -0.943883D+01 -0.616452D+01
      3   0.137222D+02  0.107688D+02  0.114944D+02 -0.214848D+01  0.107867D+02
                31            32            33            34            35 
      1  -0.332799D+01 -0.632098D+01  0.230257D+01 -0.984462D+01  0.137923D+02
      2  -0.858485D+01 -0.301918D+01  0.453283D+01 -0.164592D+02  0.139267D+02
      3   0.126681D+02 -0.299895D+02  0.594347D+01  0.107221D+02  0.106986D+02
                36            37            38            39            40 
      1   0.973759D+01 -0.113736D+01  0.319770D+00  0.518532D+01 -0.441744D+01
      2   0.153135D+02  0.828941D+01  0.326827D+01  0.337385D+01 -0.315486D+01
      3  -0.439880D+01 -0.138536D+02 -0.843173D+01 -0.684527D+00  0.840361D+01
                41            42            43            44            45 
      1   0.119665D+01 -0.117255D+02  0.804043D+01  0.449112D+00  0.451404D+01
      2   0.293924D+01 -0.508516D+01 -0.993846D+01 -0.425112D+01  0.440648D+01
      3   0.214572D+01  0.264199D+01  0.526742D+01 -0.489844D+00 -0.659793D+01
                46            47            48            49            50 
      1   0.481506D+01 -0.494395D+00 -0.244250D+01 -0.121640D+01 -0.213154D+01
      2  -0.131831D+02 -0.280239D+01  0.693027D+01  0.100391D+01 -0.191660D+01
      3   0.121243D+02 -0.576433D+01 -0.215280D+01 -0.284033D+01 -0.166556D+02
                51            52            53            54            55 
      1  -0.191794D+01 -0.276784D+01  0.749244D+01 -0.279048D+01  0.295073D+01
      2  -0.962982D+00 -0.567993D+00 -0.334377D+01  0.681366D+01  0.267906D+01
      3   0.278170D+01 -0.761896D+01  0.257504D+01  0.531511D+01 -0.364178D+01
                56            57            58            59            60 
      1   0.257497D+01  0.660181D+01  0.335119D+01  0.432221D+01 -0.704978D+01
      2   0.199524D+01  0.445067D+01  0.158704D+01  0.279825D+01 -0.370210D+01
      3  -0.619812D+01 -0.382174D+01  0.327223D+01  0.131066D+02 -0.568316D+01
                61            62            63            64            65 
      1   0.446377D+01  0.213757D+00 -0.945190D+01 -0.236110D+01  0.311720D+01
      2  -0.229407D+01 -0.276692D+01 -0.528278D+01 -0.142584D+01 -0.459370D+01
      3  -0.520837D+01 -0.689464D+01 -0.139220D+01  0.197127D+01 -0.463826D+01
                66            67            68            69            70 
      1  -0.132152D+02  0.615303D+01 -0.201916D+01  0.719904D+01 -0.107129D+02
      2   0.106577D+02 -0.106192D+01 -0.453355D+01  0.146146D+02  0.280644D+01
      3   0.660310D+01 -0.152527D+01 -0.200996D+01 -0.939938D+00  0.479372D+01
                71            72            73            74            75 
      1   0.837361D+01  0.274898D+01 -0.204505D+01  0.243925D+00 -0.294286D+01
      2   0.917527D+01  0.473913D+01 -0.556046D+00  0.110976D+01  0.581571D+01
      3   0.625703D+00  0.109840D+01  0.538492D+01 -0.177219D+01  0.161895D+01
                76            77            78            79            80 
      1  -0.287639D+00 -0.679742D+00 -0.118848D+01 -0.190751D+01  0.268501D+01
      2  -0.693908D-01  0.290105D+01  0.285805D+01  0.506791D+00 -0.166879D+01
      3   0.113545D+01 -0.217147D+01 -0.150975D+01  0.142285D+01 -0.389059D+01
                81            82            83            84            85 
      1  -0.126640D+01  0.185024D+01  0.286037D+01 -0.108843D-02  0.708774D+00
      2   0.114753D+01 -0.772340D+00 -0.452931D+00  0.148253D+01 -0.102504D+01
      3   0.152636D+01  0.223620D+01  0.136847D+01 -0.793092D+00  0.683600D+01
                86            87            88            89            90 
      1   0.130890D+02 -0.635426D+01  0.500036D+00 -0.773876D+01  0.273870D+01
      2   0.934562D+00  0.749135D+00 -0.586529D+00  0.925672D+00  0.306643D+00
      3  -0.487290D+01 -0.438765D+00 -0.280656D+01 -0.269825D+00 -0.184467D+01
                91            92            93            94            95 
      1  -0.320138D+01  0.182084D+01  0.418142D+01  0.384625D+00 -0.881190D+00
      2   0.230213D+01 -0.120623D+01 -0.105609D+01 -0.809267D+00  0.231697D+01
      3  -0.446338D+01  0.444572D+00  0.424254D+01  0.207054D+01 -0.393593D+01
                96            97            98            99           100 
      1  -0.283698D+01  0.348567D+01 -0.447392D+01 -0.181787D+02  0.385279D+01
      2   0.873786D+00 -0.559151D+01  0.283325D+01  0.449904D+01  0.780851D+01
      3  -0.278025D+01  0.737890D+01 -0.600269D+01 -0.725342D+01 -0.133157D+02
               101           102           103           104           105 
      1   0.950611D+00  0.262853D+01  0.825572D+00  0.137892D+01 -0.191586D+00
      2   0.355026D+00  0.791315D+01  0.198440D+01  0.166043D+01  0.211403D+01
      3  -0.523988D+01 -0.405044D+01 -0.379942D+01 -0.308765D+01 -0.260781D+01
               106           107           108           109           110 
      1   0.304196D+01  0.605452D+00  0.143670D+01 -0.256539D+01  0.156979D+01
      2   0.536972D+01  0.187699D-01  0.471519D+01 -0.350531D+01  0.263515D+01
      3  -0.524887D+01 -0.365371D+01 -0.241807D+01 -0.733022D+00 -0.186135D+01
               111           112           113           114           115 
      1   0.330468D+01  0.182887D+01 -0.883420D+00 -0.356274D+01  0.566987D+01
      2   0.550164D+01  0.281714D+01 -0.414421D+01 -0.489603D+01  0.636465D+01
      3  -0.124029D+01 -0.229666D+01  0.764390D+01  0.301309D+01 -0.181747D+01
               116           117           118           119           120 
      1  -0.379236D+01 -0.126850D+02  0.601434D+00  0.203215D+01 -0.432709D+00
      2  -0.890090D+01 -0.215721D+02  0.157159D+01  0.229884D+01  0.376791D+00
      3   0.537975D+01  0.511659D+01  0.285303D+01  0.593007D+01 -0.262051D+01
               121           122           123           124           125 
      1  -0.353640D+00  0.585039D+01 -0.568946D+01  0.121791D+01 -0.449984D+01
      2   0.142743D+01  0.519519D+01 -0.454639D+01  0.381612D+00 -0.611469D+01
      3   0.663124D+00  0.293533D+02 -0.641056D+01 -0.221624D+01 -0.101796D+02
               126           127           128           129           130 
      1   0.210745D+01  0.134891D+01 -0.336751D+00 -0.190169D+00 -0.629383D+00
      2   0.222004D+01  0.945068D+00 -0.126249D+01  0.921616D+00 -0.285349D+01
      3   0.605048D+01 -0.575991D+00  0.131511D+00  0.208433D-01  0.574296D+01
               131           132           133           134           135 
      1   0.604492D+01 -0.233603D+01 -0.187556D+00  0.296694D+01 -0.909538D+00
      2   0.780707D+00  0.167571D+00 -0.232131D+01  0.618462D-02 -0.560726D+00
      3   0.432563D+00 -0.377075D-02  0.905819D+00  0.459287D+00  0.220361D+00
               136           137           138           139           140 
      1  -0.119438D+02  0.898969D+00  0.217739D+01  0.326081D+01  0.142291D+02
      2   0.106791D+02  0.503054D+01  0.123775D+02  0.677754D+01  0.128931D+01
      3  -0.370787D+01  0.445205D+00  0.526975D+01  0.685181D+01  0.913900D+01
               141           142           143           144           145 
      1  -0.127020D+02  0.109610D+01 -0.385686D+01 -0.318108D+01 -0.308550D+01
      2   0.162912D+01  0.686646D+01  0.329217D+01 -0.473974D+01  0.129339D+02
      3  -0.425737D+01  0.440940D+01 -0.242208D+01 -0.391282D+01 -0.140622D+02
               146           147           148           149           150 
      1  -0.209059D-01  0.274708D+01 -0.939912D+00 -0.405472D+01 -0.400108D+01
      2  -0.111696D+01 -0.559650D+01 -0.255343D+01  0.316426D+01  0.556613D+01
      3   0.325741D+01  0.425574D+01  0.133674D+02  0.231517D+02 -0.261010D+01
               151           152           153           154           155 
      1   0.464018D+01  0.779497D+00  0.813270D+01 -0.131175D+01  0.644834D+00
      2  -0.153376D+02  0.393642D+01 -0.167323D+02 -0.132810D+01  0.859255D+00
      3   0.518636D+01 -0.308246D+01 -0.811917D+01 -0.780814D+01 -0.133427D+01
               156           157           158           159           160 
      1   0.278683D+01  0.498345D+00 -0.162759D+01 -0.324234D+01  0.161914D+01
      2   0.368734D+01  0.426881D+00 -0.108323D+01 -0.213334D+01  0.156013D+00
      3   0.195009D+00  0.410188D+01  0.719783D+00  0.601036D+00  0.413743D+00
               161           162           163           164           165 
      1  -0.507491D+00  0.390471D+00  0.372623D+01  0.397664D+01  0.426941D+01
      2  -0.101429D+01  0.133085D+00 -0.103550D+02 -0.157889D+01 -0.386278D+01
      3   0.122789D+01 -0.417372D+00 -0.332682D+01 -0.285937D+01 -0.245742D+01
               166           167           168           169           170 
      1   0.209008D+01  0.209980D+01  0.556615D+00  0.363881D+01  0.333827D+01
      2  -0.236958D+01 -0.106583D+01 -0.169651D+01 -0.711090D+01 -0.128089D+01
      3   0.477620D+00 -0.239365D+00 -0.551257D+00 -0.155675D+01 -0.178192D+01
               171           172           173           174           175 
      1   0.407215D+01 -0.168022D+01 -0.457504D+01  0.780790D+00 -0.260804D+01
      2  -0.316205D+01  0.987273D+01  0.397790D+01 -0.469534D+01  0.432510D+01
      3  -0.182105D+01  0.471175D+01  0.670931D+00 -0.278637D+01  0.397401D+01
               176           177           178           179           180 
      1  -0.398439D+01  0.481433D-01  0.940018D+00  0.288983D+01 -0.484919D+00
      2   0.376173D+01 -0.419058D+01 -0.536485D+01 -0.325077D+01  0.413983D+01
      3   0.102164D+01 -0.211920D+01 -0.262183D+01 -0.317258D+00  0.239667D+01
               181           182           183           184           185 
      1   0.620157D+01  0.371891D+01  0.135023D+01  0.337132D+01  0.172145D+01
      2  -0.180900D+02 -0.407804D+01 -0.405265D+01 -0.572951D+01 -0.260955D+01
      3  -0.264922D+01 -0.158415D+01 -0.128721D+01  0.102946D+01 -0.292321D+00
               186           187           188           189           190 
      1   0.943352D+00  0.230886D+01  0.275365D+01  0.269441D+01 -0.537336D+00
      2  -0.655959D+00 -0.751625D+01 -0.117042D+01 -0.505292D+01 -0.717338D+00
      3   0.205575D+00 -0.828568D+00 -0.707711D+00 -0.537862D+00 -0.762539D+00
               191           192           193           194           195 
      1  -0.880287D+00 -0.533019D+00 -0.186099D+01 -0.166960D+02  0.109258D+01
      2   0.125603D+01 -0.487408D+00  0.273735D+01 -0.220231D+01  0.281995D+01
      3  -0.562397D+00 -0.594768D+00  0.295834D+01 -0.100364D+02  0.387068D+01
               196           197           198           199           200 
      1  -0.644683D-01  0.307292D+01 -0.180362D+01  0.588564D+01 -0.466680D+01
      2  -0.164224D+01  0.859682D+00 -0.510920D+00  0.636707D+01 -0.201590D+01
      3  -0.573212D+00  0.132572D+01 -0.113034D+01  0.466351D+01 -0.441500D+01
               201           202           203           204           205 
      1  -0.431950D+01 -0.319860D+01  0.243321D+01  0.316898D+01 -0.358496D+01
      2  -0.186800D+00 -0.322431D+01  0.252696D+00 -0.114755D+01 -0.477207D+01
      3  -0.367104D+01 -0.172337D+01  0.194392D+01  0.247212D+01 -0.253967D+01
               206           207           208           209           210 
      1   0.390036D+01  0.517609D+01 -0.200603D+01  0.234427D+00 -0.141645D+01
      2   0.184818D-01  0.303997D-01  0.286267D+01  0.808691D+00  0.435073D+01
      3   0.226010D+01  0.342573D+01  0.247305D+01 -0.128308D+01  0.118477D+01
               211           212           213           214           215 
      1  -0.548624D-01 -0.936059D+00  0.103906D+01 -0.162925D+01  0.408777D+01
      2   0.135035D+01  0.244325D+01 -0.331628D+01  0.205430D+01 -0.259544D+01
      3  -0.786585D+00 -0.104861D+00 -0.235963D+01  0.841766D+00 -0.384513D+01
               216           217           218           219           220 
      1  -0.883601D+01  0.241747D+01 -0.668094D+00 -0.149955D+01 -0.381278D+00
      2   0.211889D+02 -0.976243D+01  0.142870D+01  0.881472D+01  0.280647D+01
      3   0.417922D+01  0.124136D+02 -0.661117D+01 -0.367701D+01 -0.593580D+01
               221           222           223           224           225 
      1   0.927941D+00 -0.285926D+00 -0.214765D+01  0.121150D+01  0.768464D+00
      2  -0.236808D+01 -0.385397D+01  0.656691D+01 -0.149284D+01 -0.581049D+01
      3   0.270779D+01  0.247323D+01 -0.490701D+01  0.415815D+01  0.396584D+01
               226           227           228           229           230 
      1   0.916247D+00  0.384736D+00 -0.170375D+00  0.568777D+00  0.396810D+01
      2  -0.142063D+01 -0.480685D+00  0.142525D+01 -0.193675D+00 -0.181332D+01
      3  -0.213285D+01 -0.165621D+01 -0.541786D+00 -0.252499D+01 -0.253568D+02
               231           232           233           234 
      1  -0.459109D+01 -0.523153D+00 -0.261991D+00  0.324544D+00
      2   0.350441D+01  0.114641D+01  0.196563D+01  0.294643D+00
      3   0.102588D+01 -0.951719D+00  0.175089D+01 -0.177999D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.149062D+02  0.319823D+01 -0.293514D+01  0.627889D+01 -0.265683D+02
      2   0.991437D+01 -0.479871D+00  0.273059D+01  0.132112D+01  0.325562D+02
      3   0.499188D+01 -0.271836D+01  0.204548D+00 -0.760001D+01 -0.598788D+01
      4  -0.715462D+01  0.994797D+00 -0.122285D+02 -0.248355D+01  0.522702D+02
      5  -0.177306D+02 -0.831958D+01 -0.532901D+01 -0.128724D+02  0.423497D+01
      6  -0.623119D+01 -0.821873D+01 -0.598919D+01 -0.581483D+01  0.611186D+01
                 6             7             8             9            10 
      1  -0.135084D+02 -0.475868D+01 -0.142339D+02 -0.187909D+02  0.160937D+01
      2   0.947478D+01  0.253164D+01  0.179058D+01  0.228004D+01  0.286965D+01
      3   0.403363D+01  0.222704D+01  0.124433D+02  0.165109D+02 -0.447902D+01
      4   0.383584D+01 -0.195367D+02  0.303896D+01  0.104942D+02 -0.187892D+01
      5   0.629010D+01 -0.518730D+01  0.673835D+01  0.948911D+01  0.230908D+01
      6   0.787203D+01 -0.426663D+01  0.115240D+02  0.581495D+01  0.222498D+01
                11            12            13            14            15 
      1  -0.379094D+01 -0.108212D+02  0.274930D+01  0.416063D+02  0.241858D+01
      2  -0.590485D+01  0.106790D+02 -0.774876D+01 -0.629238D+02  0.792134D+01
      3   0.969579D+01  0.142221D+00  0.499946D+01  0.213175D+02 -0.103399D+02
      4   0.359008D+01  0.447849D+01  0.846849D+01 -0.192015D+02  0.498115D+01
      5   0.158211D+01 -0.163380D+01  0.322117D+01  0.161605D+00  0.267084D+01
      6   0.162282D+02  0.138818D+02  0.726559D+01  0.580997D+01 -0.693763D+01
                16            17            18            19            20 
      1  -0.105353D+02 -0.142398D+01  0.222817D+02  0.157611D+02 -0.571145D+00
      2   0.650324D+01  0.243919D+02 -0.772266D+01 -0.128873D+02 -0.205416D+01
      3   0.403204D+01 -0.229679D+02 -0.145591D+02 -0.287381D+01  0.262530D+01
      4   0.474631D+01  0.897344D+01  0.448432D+01 -0.467406D+01  0.537074D+01
      5   0.487659D+00  0.550196D+01  0.682585D+01  0.184326D+01  0.805622D+01
      6   0.129487D+02 -0.209235D+02 -0.278925D+02 -0.242682D+01 -0.588286D+01
                21            22            23            24            25 
      1   0.503840D+01  0.190766D+01  0.998676D+01  0.120788D+02 -0.248556D+01
      2  -0.334561D+01 -0.211538D+01 -0.710487D+01 -0.225532D+01 -0.627725D+00
      3  -0.169279D+01  0.207716D+00 -0.288189D+01 -0.982351D+01  0.311328D+01
      4   0.547527D+01 -0.155475D+01 -0.538010D+02 -0.146426D+02 -0.196145D+01
      5   0.540782D+01  0.540573D+01 -0.972208D+01 -0.117209D+02  0.139363D+02
      6  -0.434958D+00 -0.687075D+00 -0.766364D+01 -0.116657D+01 -0.675719D+00
                26            27            28            29            30 
      1   0.996227D+01  0.116243D+02 -0.342806D+02 -0.226656D+01 -0.167291D+02
      2  -0.101319D+02 -0.126086D+02  0.267038D+02 -0.661345D+01  0.105378D+02
      3   0.169623D+00  0.984343D+00  0.757680D+01  0.888001D+01  0.619126D+01
      4  -0.175529D+02 -0.128909D+02 -0.373559D+01  0.315229D+01 -0.109507D+02
      5  -0.101614D+02 -0.142943D+02 -0.119471D+02 -0.149534D+02 -0.171832D+02
      6   0.459045D+01 -0.502117D+01  0.218625D+01  0.885240D+01  0.738779D+01
                31            32            33            34            35 
      1  -0.175344D+02  0.146445D+02 -0.182637D+02 -0.194101D+02 -0.214280D+02
      2   0.727495D+01 -0.267346D+02  0.179661D+02  0.789721D+01  0.260190D+02
      3   0.102594D+02  0.120902D+02  0.297600D+00  0.115129D+02 -0.459107D+01
      4  -0.181921D+01  0.379129D+02  0.169018D+01 -0.123218D+02  0.334526D+00
      5  -0.147037D+02 -0.501964D+01  0.113479D+02 -0.276623D+02  0.253069D+02
      6   0.326631D+01  0.130321D+02 -0.885242D+01  0.130522D+02 -0.178906D+02
                36            37            38            39            40 
      1  -0.136707D+02 -0.130894D+02 -0.377274D+01  0.148017D+01 -0.130480D+02
      2   0.107987D+02  0.881613D+01  0.306272D+01 -0.279799D+01  0.102441D+01
      3   0.287197D+01  0.427330D+01  0.710026D+00  0.131782D+01  0.120236D+02
      4   0.223718D+02  0.625542D+01  0.195241D+01  0.473455D+01  0.152173D+01
      5   0.320458D+02  0.423964D+01 -0.437063D+00 -0.277857D+00 -0.596545D+00
      6  -0.176162D+02  0.636491D+01 -0.865584D-01  0.348110D+01 -0.479214D+00
                41            42            43            44            45 
      1   0.207377D+02  0.365553D+01  0.913911D+01  0.110156D+02  0.886269D+00
      2  -0.123244D+02 -0.991878D+01 -0.277514D+01 -0.134007D+02  0.415944D+01
      3  -0.841335D+01  0.626325D+01 -0.636397D+01  0.238512D+01 -0.504571D+01
      4  -0.744087D+01 -0.131972D+01  0.907428D+01  0.509790D-01  0.141247D+01
      5   0.108476D+01  0.461370D+01 -0.513974D+01  0.143450D+01 -0.714568D+00
      6  -0.130586D+02 -0.181782D+02 -0.458244D+00 -0.107421D+02  0.346053D+01
                46            47            48            49            50 
      1   0.761521D+00 -0.879586D+01 -0.146060D+02 -0.103501D+02 -0.383748D+01
      2  -0.739713D+01  0.231482D+01  0.108851D+02  0.801435D+01  0.329904D+01
      3   0.663560D+01  0.648105D+01  0.372094D+01  0.233570D+01  0.538437D+00
      4  -0.149542D+02  0.296491D+01 -0.900063D+01  0.535768D+01  0.194263D+02
      5  -0.172531D+02 -0.412178D+01  0.798700D+01  0.112156D+01 -0.639233D+01
      6  -0.959375D+01 -0.547868D-01  0.157406D+01 -0.726782D+00 -0.426701D+01
                51            52            53            54            55 
      1  -0.556010D+01 -0.204775D+02 -0.787666D+01  0.105120D+02 -0.987115D+01
      2  -0.206567D+01  0.112401D+02  0.332513D+01 -0.513723D+01 -0.579370D+01
      3   0.762576D+01  0.923741D+01  0.455153D+01 -0.537481D+01  0.156648D+02
      4  -0.816735D+01 -0.765226D+01 -0.910746D+01  0.211433D+01  0.227453D+02
      5  -0.428073D+01  0.101843D+02 -0.128109D+01  0.404368D+01  0.291118D+00
      6   0.728922D+01  0.502812D+01 -0.510333D+00  0.321397D+01  0.116407D+01
                56            57            58            59            60 
      1   0.779003D+01  0.336709D+01  0.349751D+01 -0.137740D+02  0.321919D+01
      2   0.561226D+01 -0.107032D+02  0.473358D+01  0.100160D+02 -0.105061D+01
      3  -0.134023D+02  0.733614D+01 -0.823110D+01  0.375798D+01 -0.216859D+01
      4  -0.250032D+02  0.169100D+01 -0.232532D+02  0.663237D+01  0.302973D+01
      5   0.210571D+01  0.615822D+00 -0.154519D+01  0.237963D+01  0.445019D+00
      6  -0.982634D+01 -0.614433D+01 -0.645307D+01  0.304782D+01 -0.201828D+00
                61            62            63            64            65 
      1   0.130551D+01  0.601208D+01  0.170875D+01  0.769191D+01  0.871145D+01
      2  -0.629277D+01 -0.743460D+01  0.874258D+01  0.735537D+01  0.192217D+01
      3   0.498726D+01  0.142251D+01 -0.104513D+02 -0.150473D+02 -0.106336D+02
      4   0.429628D+01  0.465308D+01 -0.775151D+01 -0.472401D+01 -0.365967D+00
      5   0.298368D+01 -0.201643D+01 -0.131934D+01 -0.340188D+01  0.388646D+01
      6  -0.530824D+01  0.576199D+01  0.739406D+01  0.748648D+01  0.151856D+02
                66            67            68            69            70 
      1  -0.356843D+01  0.128253D+02 -0.262607D+01 -0.185538D+01  0.123034D+01
      2   0.153526D+02  0.431170D+01 -0.279369D+01 -0.176248D+01  0.114761D+02
      3  -0.117841D+02 -0.171370D+02  0.541976D+01  0.361785D+01 -0.127065D+02
      4   0.298332D+01  0.269444D+01 -0.302546D+01  0.870398D+01 -0.247486D+01
      5  -0.196240D+02  0.114301D+01  0.597760D+01 -0.144408D+02 -0.142598D+02
      6  -0.113251D+02  0.135204D+02 -0.508833D+01  0.499843D+01 -0.502188D+01
                71            72            73            74            75 
      1  -0.647291D+01 -0.457121D+01  0.351563D+02  0.993546D+01  0.107429D+02
      2   0.441683D+01 -0.117522D+01 -0.195378D+02 -0.471822D+01 -0.931814D+01
      3   0.205608D+01  0.574643D+01 -0.156185D+02 -0.521724D+01 -0.142474D+01
      4   0.546583D+01 -0.208677D+00  0.276664D+02  0.148055D+02  0.119498D+02
      5  -0.657952D+01 -0.504492D+01  0.240871D+02  0.927911D+01  0.170605D+02
      6  -0.174347D+00  0.113933D+01  0.824638D+01  0.522110D+01  0.578924D+01
                76            77            78            79            80 
      1   0.465135D+01  0.843193D+00 -0.273485D+00  0.119734D+02  0.354688D+01
      2  -0.676796D+00  0.235694D+01  0.217821D+00 -0.847880D+01  0.451313D+00
      3  -0.397456D+01 -0.320013D+01  0.556644D-01 -0.349460D+01 -0.399819D+01
      4   0.138667D+02  0.123808D+02  0.895238D+01  0.140404D+02  0.125724D+02
      5   0.670032D+01  0.804682D+01  0.673989D+01  0.153953D+02  0.540891D+01
      6   0.520651D+01  0.665620D+01  0.565943D+01  0.630254D+01  0.496171D+01
                81            82            83            84            85 
      1   0.554635D+01 -0.144125D+01 -0.509585D+01  0.515595D+00 -0.274713D+01
      2  -0.556918D+01  0.737376D+01  0.130846D+02 -0.779409D+00  0.848439D+01
      3   0.228330D-01 -0.593251D+01 -0.798877D+01  0.263814D+00 -0.573726D+01
      4   0.823443D+01  0.608431D+01  0.147084D+02 -0.166845D+01  0.816924D+01
      5   0.110330D+02 -0.331134D+00  0.451931D+00  0.235882D+01 -0.751948D-01
      6   0.533488D+01 -0.167507D+01 -0.138966D+01 -0.224589D+00 -0.545705D+00
                86            87            88            89            90 
      1  -0.471149D+02  0.280964D+01  0.153667D+01  0.123188D+02 -0.824797D+01
      2   0.854277D+02 -0.712361D+01 -0.232691D+01 -0.247431D+02  0.914148D+01
      3  -0.383128D+02  0.431396D+01  0.790239D+00  0.124243D+02 -0.893509D+00
      4   0.209169D+02 -0.225181D+01 -0.325825D+01 -0.607834D+01  0.233618D+01
      5   0.755336D-01  0.607187D+00  0.161338D+01  0.102394D+01 -0.162018D+01
      6  -0.594354D+01  0.844386D+01 -0.385689D+00  0.152031D+02 -0.243451D+01
                91            92            93            94            95 
      1  -0.225828D+01  0.348944D+01  0.569721D+01  0.159553D+01 -0.150278D+02
      2  -0.150250D+01 -0.167689D+01 -0.241547D+01 -0.143026D+01  0.158944D+02
      3   0.376078D+01 -0.181254D+01 -0.328173D+01 -0.165271D+00 -0.866621D+00
      4  -0.352862D+01  0.517352D+01  0.506073D+01  0.138050D+01  0.856425D+00
      5  -0.318379D+01  0.337359D+01  0.704360D+01  0.790917D+00 -0.105205D+01
      6   0.626362D+01 -0.699563D+01 -0.869460D+01 -0.367239D+01  0.117424D+02
                96            97            98            99           100 
      1  -0.895825D+01  0.718249D+01 -0.174305D+02 -0.283647D+02  0.703772D+02
      2   0.644580D+01 -0.142558D+01  0.679273D+01  0.147976D+01 -0.392610D+02
      3   0.251245D+01 -0.575691D+01  0.106378D+02  0.268849D+02 -0.311162D+02
      4  -0.147334D+01  0.355104D+01 -0.205073D+01 -0.227435D+01 -0.100174D+02
      5  -0.125425D+01  0.557847D+01 -0.281170D+01 -0.433044D+01  0.174648D+02
      6   0.141261D+02 -0.787468D+01  0.268473D+02  0.399927D+02 -0.558704D+01
               101           102           103           104           105 
      1   0.247779D+01  0.163060D+02  0.207216D+02  0.462778D+01  0.507172D+01
      2  -0.300662D+01 -0.100808D+02 -0.124053D+02 -0.157769D+01 -0.457760D+01
      3   0.528830D+00 -0.622515D+01 -0.831625D+01 -0.305009D+01 -0.494121D+00
      4   0.786899D+01 -0.217836D+01  0.541862D+01  0.342753D+01  0.285756D+01
      5   0.300262D+00  0.145050D+02  0.496304D+01  0.349724D+01  0.383597D+01
      6  -0.215726D+00 -0.483394D+01 -0.636836D+00 -0.115245D+01  0.868054D+00
               106           107           108           109           110 
      1   0.257880D+02  0.969096D+00  0.124094D+02  0.149352D+02 -0.522920D+01
      2  -0.160316D+02 -0.321558D+01 -0.102894D+02 -0.105008D+02  0.344209D+01
      3  -0.975640D+01  0.224649D+01 -0.212007D+01 -0.443439D+01  0.178710D+01
      4  -0.493462D+01  0.503503D+01 -0.301312D+01 -0.944555D+01  0.610434D+01
      5   0.185453D+02 -0.101760D+01  0.100903D+02 -0.128945D+02  0.804642D+01
      6  -0.467240D+01  0.256812D+01 -0.191746D+01  0.545337D+01 -0.399448D+01
               111           112           113           114           115 
      1  -0.802931D+01 -0.158848D+01 -0.101481D+01  0.190327D+01 -0.146670D+02
      2   0.554913D+01 -0.543946D+00  0.530492D+01 -0.999467D-01  0.114773D+02
      3   0.248017D+01  0.213243D+01 -0.429011D+01 -0.180332D+01  0.318971D+01
      4   0.886957D+01  0.108428D+02 -0.170128D+02 -0.102337D+02  0.193196D+02
      5   0.157554D+02  0.716864D+01 -0.921568D+01 -0.103794D+02  0.268524D+02
      6  -0.589418D+01 -0.461365D+01  0.557524D+01  0.104325D+02 -0.118732D+02
               116           117           118           119           120 
      1   0.631455D+01  0.404806D+01 -0.159754D+01 -0.950769D+01  0.465323D+01
      2  -0.508583D+01 -0.141818D+02  0.228338D+01  0.112129D+02 -0.291394D+01
      3  -0.122873D+01  0.101338D+02 -0.685837D+00 -0.170519D+01 -0.173929D+01
      4  -0.191651D+02 -0.205056D+02 -0.292890D+00 -0.204452D+01  0.129119D-01
      5  -0.222660D+02 -0.465030D+02  0.235226D+01  0.181303D+01  0.138707D+01
      6   0.164929D+02  0.251980D+02 -0.214672D+01 -0.334041D+01  0.124412D+01
               121           122           123           124           125 
      1  -0.708831D+01 -0.227397D+02  0.809153D+01  0.551185D+01  0.103686D+02
      2   0.569855D+00  0.454095D+02 -0.104260D+02 -0.128549D+01 -0.158913D+02
      3   0.651846D+01 -0.226697D+02  0.233444D+01 -0.422636D+01  0.552276D+01
      4   0.138044D+02 -0.443969D+02  0.754206D+01 -0.356331D+01  0.135711D+02
      5   0.478378D+00  0.108197D+02 -0.878403D+01  0.615615D+01 -0.129955D+02
      6   0.191270D+01 -0.162064D+02  0.101943D+02 -0.312656D+01  0.151769D+02
               126           127           128           129           130 
      1  -0.432474D+01  0.183915D+00 -0.100446D+01 -0.358828D+00  0.650250D+00
      2   0.468230D+01  0.232849D+01  0.635841D+00  0.424913D+00 -0.162376D+01
      3  -0.357561D+00 -0.251240D+01  0.368619D+00 -0.660845D-01  0.973506D+00
      4  -0.102033D+02 -0.786505D+00  0.809649D+01  0.226852D+01  0.705767D+01
      5   0.217164D+01 -0.108619D+01  0.345424D+01  0.385395D+01  0.326762D+01
      6  -0.570724D+01  0.434493D+01 -0.303106D+00  0.761544D+00 -0.310610D+01
               131           132           133           134           135 
      1  -0.224527D+02 -0.105505D+02  0.430649D+00 -0.902407D+01 -0.104196D+02
      2   0.271387D+02  0.818172D+01  0.407008D+00  0.628082D+01  0.212180D+01
      3  -0.468600D+01  0.236878D+01 -0.837657D+00  0.274325D+01  0.829784D+01
      4  -0.158660D+01 -0.129595D+01  0.195094D+01 -0.128861D+01  0.200408D+00
      5  -0.204061D+01 -0.944385D+00  0.303763D+01 -0.873686D+00 -0.202440D+01
      6   0.256908D+02  0.168118D+02 -0.100648D+01  0.154414D+02  0.115443D+02
               136           137           138           139           140 
      1   0.575829D+01  0.648483D+01  0.110365D+02  0.926393D+01  0.134971D+02
      2   0.160528D+02 -0.549705D+01 -0.108905D+02 -0.102354D+02 -0.190146D+02
      3  -0.218111D+02 -0.987780D+00 -0.145986D+00  0.971418D+00  0.551753D+01
      4   0.938529D+01  0.241699D+01  0.227027D+01  0.231625D+00 -0.153886D+02
      5   0.136546D+02 -0.823993D+01 -0.214023D+02 -0.121117D+02  0.606728D+01
      6  -0.582245D+01  0.303929D+01  0.386982D+01  0.533392D+01  0.277308D+02
               141           142           143           144           145 
      1  -0.191277D+01  0.925431D+01  0.177763D+01 -0.143818D+02 -0.171662D+02
      2   0.165418D+02 -0.891823D+01  0.940562D+01  0.204387D+01  0.139485D+02
      3  -0.146290D+02 -0.336083D+00 -0.111833D+02  0.123379D+02  0.321774D+01
      4   0.692029D+01  0.363077D+01  0.439702D+01  0.174150D+01  0.212834D+02
      5   0.892365D+01 -0.205388D+02  0.483119D+01  0.362343D+01  0.253046D+02
      6  -0.943240D+01  0.131543D+01 -0.325618D+01 -0.120453D+02  0.746066D+01
               146           147           148           149           150 
      1   0.182181D+02  0.247650D+02  0.294207D+02  0.119476D+02 -0.298151D+01
      2  -0.110063D+02 -0.110792D+02 -0.216735D+02 -0.278598D+02  0.356608D+01
      3  -0.721175D+01 -0.136858D+02 -0.774725D+01  0.159122D+02 -0.584568D+00
      4   0.220101D+01  0.401152D+01 -0.477088D+01 -0.346069D+02  0.671303D+01
      5   0.151417D+01 -0.960775D+01 -0.131890D+01  0.600022D+01  0.969099D+01
      6   0.653665D+00 -0.192645D+01  0.299248D+00 -0.114618D+01  0.292015D+01
               151           152           153           154           155 
      1   0.297483D+02 -0.206381D+01 -0.128336D+02  0.224060D+02 -0.892832D+01
      2  -0.122137D+02  0.306032D+01  0.150462D+02  0.340665D+00 -0.776092D+01
      3  -0.175346D+02 -0.996508D+00 -0.221257D+01 -0.227467D+02  0.166892D+02
      4   0.277540D+01  0.693645D+01  0.586355D+01 -0.346551D+02  0.294062D+02
      5  -0.148104D+02  0.764202D+01 -0.240174D+02  0.292908D+01 -0.259988D+01
      6  -0.358026D+01  0.374408D+01 -0.755735D+01 -0.338425D+01  0.349287D+01
               156           157           158           159           160 
      1  -0.592208D+00 -0.394226D+01 -0.220184D+00 -0.175181D-01 -0.742681D+00
      2   0.971583D+00 -0.974515D+01  0.175564D+02  0.789344D+00  0.761707D+00
      3  -0.379375D+00  0.136874D+02 -0.173362D+02 -0.771826D+00 -0.190260D-01
      4  -0.984753D+00  0.244710D+02 -0.265017D+02  0.336346D+00 -0.371760D+00
      5   0.581456D+01 -0.203429D+01  0.153414D+01 -0.212146D+01  0.618743D+01
      6  -0.318288D+01  0.282833D+01 -0.331224D+01  0.502217D+01 -0.414877D+01
               161           162           163           164           165 
      1   0.111790D+00  0.142415D+00  0.258837D+01  0.118080D+01 -0.452970D+01
      2   0.143398D+01  0.387834D+00 -0.136503D+02 -0.198512D+01 -0.149808D+02
      3  -0.154577D+01 -0.530248D+00  0.110619D+02  0.804327D+00  0.195105D+02
      4  -0.335854D+00 -0.526106D+01 -0.122613D+01  0.373824D+01 -0.232209D+01
      5  -0.414588D+01  0.214338D+00  0.188684D+02  0.563589D+00  0.200542D+02
      6   0.637380D+01 -0.230296D+01 -0.377919D+01  0.253288D+01 -0.415214D+01
               166           167           168           169           170 
      1  -0.135489D+01 -0.713579D+00 -0.143277D+01 -0.318539D+01  0.556054D+00
      2  -0.237464D+01 -0.240289D+01 -0.326954D+01 -0.123299D+02 -0.129651D+01
      3   0.372952D+01  0.311647D+01  0.470230D+01  0.155153D+02  0.740460D+00
      4   0.300451D+01  0.517672D+00  0.153962D+01 -0.146271D+01  0.194472D+01
      5   0.170092D+01  0.342727D+01  0.308378D+01  0.171294D+02  0.151820D+01
      6   0.220170D+01  0.120531D+01  0.532804D+01 -0.216491D+01  0.503137D+01
               171           172           173           174           175 
      1  -0.136709D+02 -0.302855D+01 -0.631591D+01  0.911553D+01 -0.479758D+01
      2  -0.214383D+02 -0.365281D+01  0.111176D+01  0.345270D+01  0.552879D+00
      3   0.351092D+02  0.668136D+01  0.520415D+01 -0.125682D+02  0.424471D+01
      4  -0.199951D+01  0.635892D+01  0.552457D+01 -0.575279D+01  0.490706D+01
      5   0.223910D+02 -0.135658D+02 -0.682302D+01  0.144841D+02 -0.610371D+01
      6  -0.605867D+01 -0.988597D+01 -0.117914D+02  0.132008D+02 -0.875907D+01
               176           177           178           179           180 
      1  -0.930750D+01  0.955201D+01  0.443479D+01  0.721862D+01 -0.126520D+02
      2   0.687825D+01 -0.302499D+00  0.201009D+01  0.245255D+00 -0.693797D+01
      3   0.242925D+01 -0.924951D+01 -0.644487D+01 -0.746388D+01  0.195899D+02
      4   0.402700D+01 -0.380163D+01 -0.252208D+01 -0.299777D+01  0.328027D+01
      5  -0.590801D+01  0.674964D+01  0.995007D+01  0.475420D+01 -0.920542D+01
      6  -0.134799D+02  0.141707D+02  0.690806D+01  0.103291D+02 -0.151733D+02
               181           182           183           184           185 
      1  -0.457005D+01 -0.403637D+00 -0.111066D+02 -0.236362D+01 -0.325703D+01
      2  -0.506002D+01 -0.442875D+00 -0.507772D+01  0.987272D+00  0.221283D+01
      3   0.963006D+01  0.846512D+00  0.161843D+02  0.137634D+01  0.104420D+01
      4  -0.774735D+01 -0.560298D+00 -0.253557D+01 -0.576732D+00  0.196142D+00
      5   0.120065D+02  0.264325D+01  0.657323D+01  0.446219D+01  0.100370D+01
      6   0.212083D+01  0.430361D+01 -0.287486D+01  0.262599D+01 -0.143970D+00
               186           187           188           189           190 
      1  -0.304056D+01 -0.652450D+01 -0.175232D+01 -0.785901D+01 -0.797145D+00
      2  -0.407258D+01 -0.382618D+01 -0.176120D+01 -0.687165D+01  0.592850D+00
      3   0.711314D+01  0.103507D+02  0.351352D+01  0.147307D+02  0.204294D+00
      4  -0.916289D+00 -0.275908D+01  0.231378D+00 -0.276130D+01  0.259195D+01
      5  -0.119989D+01  0.913264D+01  0.512918D+00  0.556887D+01 -0.334958D+01
      6   0.273563D+01 -0.953893D-01  0.327487D+01  0.119089D+01 -0.329700D+01
               191           192           193           194           195 
      1   0.183802D+01 -0.145973D+01  0.218085D+00 -0.219201D+02  0.118878D+02
      2  -0.313259D+00  0.181736D+01  0.209094D+01  0.312552D+02 -0.658702D+01
      3  -0.152477D+01 -0.357630D+00 -0.230902D+01 -0.933503D+01 -0.530080D+01
      4   0.688745D+01 -0.239887D+01  0.877294D+01  0.184660D+02 -0.682367D+01
      5  -0.329138D+01  0.557709D+01 -0.462689D+01 -0.636062D+01  0.533758D+01
      6  -0.193321D+01  0.579543D+00 -0.463142D+01 -0.366410D+02  0.200707D+02
               196           197           198           199           200 
      1  -0.527917D+00  0.522732D+01 -0.499688D+01  0.149895D+02 -0.303388D+01
      2   0.149181D+01 -0.788898D+00  0.123963D+01 -0.208869D+02  0.381071D+01
      3  -0.963895D+00 -0.443842D+01  0.375726D+01  0.589742D+01 -0.776831D+00
      4  -0.984967D+00 -0.225608D+01  0.287141D+01 -0.110241D+01  0.515321D+01
      5   0.403002D+01  0.232746D+01 -0.305719D+01 -0.294684D+02  0.500288D+01
      6   0.101872D+01  0.112367D+02 -0.732542D+01  0.372638D+01 -0.627992D+01
               201           202           203           204           205 
      1  -0.401204D+01 -0.494351D+01 -0.733404D-01 -0.135368D+00 -0.236358D+01
      2   0.172666D+02  0.715500D+01 -0.107715D+01 -0.854624D+01  0.126881D+02
      3  -0.132546D+02 -0.221150D+01  0.115049D+01  0.868161D+01 -0.103245D+02
      4   0.620353D-01  0.481954D+01 -0.250636D+01 -0.446132D+01 -0.738091D+00
      5   0.269313D+02  0.111559D+02 -0.695781D+01 -0.107819D+02  0.202971D+02
      6  -0.119323D+01 -0.585378D+01  0.205945D+01  0.676768D+01 -0.171842D+01
               206           207           208           209           210 
      1  -0.118446D+00 -0.234577D+01  0.795948D+01 -0.251763D+01  0.536880D+01
      2  -0.393626D+01 -0.173585D+02 -0.770940D+01  0.144318D+01 -0.607890D+01
      3   0.405471D+01  0.197043D+02 -0.250077D+00  0.107445D+01  0.710101D+00
      4  -0.280976D+01 -0.124161D+01 -0.123209D+01  0.135531D+01  0.807113D+00
      5  -0.415659D+01 -0.230709D+02  0.787245D+01 -0.688012D+00  0.135973D+02
      6   0.552717D+01  0.219830D+01  0.968089D+00  0.406689D+00  0.218559D+01
               211           212           213           214           215 
      1  -0.694060D+01 -0.127134D+01 -0.918168D+00  0.108273D+02  0.969467D+00
      2   0.450696D+01  0.164899D+01  0.189818D+01 -0.932535D+01  0.152639D+01
      3   0.243364D+01 -0.377653D+00 -0.980012D+00 -0.150195D+01 -0.249586D+01
      4   0.240034D+01  0.143700D+01  0.404658D+01  0.427231D+01  0.662990D+01
      5  -0.175316D+01  0.355869D+01 -0.432700D+01  0.192733D+02 -0.101279D+01
      6   0.700418D+00 -0.102457D-01  0.294154D+01  0.466410D+01  0.403259D+01
               216           217           218           219           220 
      1   0.347516D+01  0.640917D+02 -0.753082D+01 -0.163600D+02 -0.227783D+02
      2  -0.170994D+02 -0.346615D+02  0.524613D+01  0.918967D+01  0.131928D+02
      3   0.136242D+02 -0.294303D+02  0.228470D+01  0.717035D+01  0.958552D+01
      4   0.122858D+00 -0.883903D+00  0.853219D+01  0.606357D+00  0.100156D+02
      5   0.381267D+02 -0.164451D+02  0.176769D+01  0.130878D+02  0.488273D+01
      6   0.110808D+02 -0.360448D+01  0.293891D+00  0.303525D+01 -0.228378D-01
               221           222           223           224           225 
      1   0.594432D+01  0.436165D+01 -0.282161D+02  0.166812D+01  0.121937D+02
      2  -0.588596D+00 -0.304633D+01  0.157740D+02 -0.211959D+01 -0.100268D+02
      3  -0.535572D+01 -0.131532D+01  0.124421D+02  0.451473D+00 -0.216690D+01
      4  -0.255859D+01 -0.417355D+01 -0.864411D+00 -0.633164D+01 -0.177147D+01
      5  -0.390079D+01 -0.609478D+01  0.170514D+02 -0.253049D+01 -0.109327D+02
      6   0.392141D+00  0.548470D+00  0.274792D+01  0.693752D+00 -0.122308D+01
               226           227           228           229           230 
      1   0.499355D+01  0.520749D+01 -0.251710D+01  0.581360D+01 -0.129344D+02
      2   0.792961D+00 -0.132305D+01  0.137424D+01  0.611959D+01  0.394832D+02
      3  -0.578651D+01 -0.388444D+01  0.114286D+01 -0.119332D+02 -0.265488D+02
      4   0.549361D+01  0.950348D+01 -0.627088D+00  0.219463D+02  0.493853D+02
      5  -0.221981D+01  0.267058D+00  0.206688D+01  0.127948D+01 -0.129954D+01
      6  -0.577026D+00  0.102703D+00 -0.120136D+00  0.118741D+01  0.369308D+01
               231           232           233           234 
      1   0.126956D+01 -0.469904D+01  0.698512D+00 -0.434008D+00
      2  -0.172051D+01  0.136866D+01 -0.242344D+01  0.155739D+01
      3   0.450955D+00  0.333038D+01  0.172493D+01 -0.112339D+01
      4  -0.124192D+01 -0.225094D+01 -0.386053D+01  0.435476D+01
      5   0.599331D+01  0.446917D+01  0.467339D+01  0.856934D+00
      6   0.667170D+01  0.221691D+01  0.621267D+01 -0.653769D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 20:25:58 2021, MaxMem= 10737418240 cpu:           55245.2 elap:            3456.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44112 -10.43424 -10.43270 -10.43266 -10.42927
 Alpha  occ. eigenvalues --  -10.42682 -10.42404 -10.42036 -10.41954 -10.41300
 Alpha  occ. eigenvalues --   -1.02844  -0.92718  -0.88777  -0.86906  -0.81422
 Alpha  occ. eigenvalues --   -0.80321  -0.74038  -0.72253  -0.67084  -0.61408
 Alpha  occ. eigenvalues --   -0.58949  -0.56765  -0.55624  -0.54220  -0.52987
 Alpha  occ. eigenvalues --   -0.51665  -0.51340  -0.50141  -0.48994  -0.47560
 Alpha  occ. eigenvalues --   -0.47167  -0.45702  -0.45139  -0.42530  -0.39051
 Alpha  occ. eigenvalues --   -0.38990  -0.37133  -0.32186
 Alpha virt. eigenvalues --   -0.01099  -0.00347  -0.00259  -0.00160   0.01308
 Alpha virt. eigenvalues --    0.01363   0.01655   0.01754   0.01790   0.03712
 Alpha virt. eigenvalues --    0.03858   0.04151   0.04224   0.04619   0.05296
 Alpha virt. eigenvalues --    0.06015   0.07973   0.08162   0.09198   0.09516
 Alpha virt. eigenvalues --    0.10047   0.10220   0.10520   0.10823   0.11223
 Alpha virt. eigenvalues --    0.11407   0.11676   0.11981   0.12128   0.12286
 Alpha virt. eigenvalues --    0.13104   0.13220   0.13556   0.14322   0.14492
 Alpha virt. eigenvalues --    0.14781   0.15423   0.15837   0.16226   0.16571
 Alpha virt. eigenvalues --    0.16874   0.17505   0.18294   0.18542   0.19012
 Alpha virt. eigenvalues --    0.19566   0.19683   0.20859   0.21356   0.22353
 Alpha virt. eigenvalues --    0.23258   0.24185   0.24621   0.24861   0.25501
 Alpha virt. eigenvalues --    0.26449   0.26609   0.27184   0.27792   0.28336
 Alpha virt. eigenvalues --    0.29138   0.29828   0.30104   0.30419   0.31126
 Alpha virt. eigenvalues --    0.31783   0.32247   0.33748   0.34299   0.34566
 Alpha virt. eigenvalues --    0.35096   0.35436   0.36132   0.36541   0.36968
 Alpha virt. eigenvalues --    0.37212   0.38263   0.38526   0.39246   0.39640
 Alpha virt. eigenvalues --    0.40422   0.40833   0.41280   0.41662   0.42237
 Alpha virt. eigenvalues --    0.43195   0.43591   0.43947   0.44283   0.44484
 Alpha virt. eigenvalues --    0.45301   0.45473   0.46022   0.46684   0.47152
 Alpha virt. eigenvalues --    0.47523   0.48143   0.48708   0.49573   0.49770
 Alpha virt. eigenvalues --    0.50948   0.51377   0.52207   0.52855   0.53593
 Alpha virt. eigenvalues --    0.53865   0.55358   0.55561   0.56191   0.56325
 Alpha virt. eigenvalues --    0.56558   0.57100   0.57798   0.57930   0.59030
 Alpha virt. eigenvalues --    0.59673   0.59945   0.60460   0.61040   0.61862
 Alpha virt. eigenvalues --    0.62099   0.62316   0.62795   0.63366   0.63715
 Alpha virt. eigenvalues --    0.64347   0.64841   0.65329   0.65768   0.66914
 Alpha virt. eigenvalues --    0.67244   0.68014   0.68154   0.68892   0.69220
 Alpha virt. eigenvalues --    0.69808   0.70566   0.70977   0.71723   0.72221
 Alpha virt. eigenvalues --    0.72814   0.73086   0.73702   0.74084   0.74577
 Alpha virt. eigenvalues --    0.75029   0.75879   0.76425   0.77402   0.77777
 Alpha virt. eigenvalues --    0.78578   0.79013   0.79089   0.80302   0.80380
 Alpha virt. eigenvalues --    0.81835   0.82469   0.82661   0.83104   0.84361
 Alpha virt. eigenvalues --    0.84597   0.85726   0.86246   0.86767   0.87414
 Alpha virt. eigenvalues --    0.88494   0.89093   0.91115   0.91828   0.92809
 Alpha virt. eigenvalues --    0.93323   0.93572   0.94772   0.95789   0.98048
 Alpha virt. eigenvalues --    0.98561   0.99674   1.01832   1.02568   1.04170
 Alpha virt. eigenvalues --    1.05018   1.05719   1.06482   1.07008   1.08697
 Alpha virt. eigenvalues --    1.10012   1.11716   1.12172   1.14185   1.14710
 Alpha virt. eigenvalues --    1.15027   1.16997   1.19022   1.19439   1.20868
 Alpha virt. eigenvalues --    1.22607   1.24080   1.26050   1.26150   1.26685
 Alpha virt. eigenvalues --    1.30850   1.31266   1.34168   1.35582   1.37714
 Alpha virt. eigenvalues --    1.38604   1.40424   1.41645   1.42747   1.43541
 Alpha virt. eigenvalues --    1.45649   1.47340   1.47460   1.49498   1.50481
 Alpha virt. eigenvalues --    1.53098   1.53667   1.55106   1.55745   1.57223
 Alpha virt. eigenvalues --    1.58557   1.59728   1.61330   1.62186   1.64406
 Alpha virt. eigenvalues --    1.65156   1.66794   1.68191   1.69678   1.70340
 Alpha virt. eigenvalues --    1.71574   1.74209   1.74871   1.75304   1.76474
 Alpha virt. eigenvalues --    1.76709   1.77704   1.79046   1.80397   1.82147
 Alpha virt. eigenvalues --    1.82259   1.82717   1.84494   1.86558   1.87201
 Alpha virt. eigenvalues --    1.89517   1.90364   1.91017   1.91802   1.92691
 Alpha virt. eigenvalues --    1.92957   1.94808   1.96086   1.97713   1.98619
 Alpha virt. eigenvalues --    2.01041   2.01822   2.01918   2.04761   2.05161
 Alpha virt. eigenvalues --    2.05779   2.08039   2.08702   2.09828   2.11119
 Alpha virt. eigenvalues --    2.11559   2.13051   2.13774   2.14764   2.16277
 Alpha virt. eigenvalues --    2.17483   2.18507   2.21020   2.21408   2.22820
 Alpha virt. eigenvalues --    2.23355   2.24050   2.25845   2.26450   2.27421
 Alpha virt. eigenvalues --    2.28456   2.29546   2.29847   2.30833   2.33758
 Alpha virt. eigenvalues --    2.34328   2.35292   2.37480   2.38034   2.39054
 Alpha virt. eigenvalues --    2.42792   2.43031   2.43652   2.46392   2.47626
 Alpha virt. eigenvalues --    2.48383   2.49697   2.50937   2.51197   2.52583
 Alpha virt. eigenvalues --    2.54405   2.56125   2.57312   2.58887   2.59135
 Alpha virt. eigenvalues --    2.60445   2.61838   2.63888   2.65329   2.67566
 Alpha virt. eigenvalues --    2.69058   2.70706   2.71478   2.74472   2.77121
 Alpha virt. eigenvalues --    2.77821   2.81040   2.82011   2.84511   2.85838
 Alpha virt. eigenvalues --    2.88550   2.91356   2.95678   2.98031   2.98926
 Alpha virt. eigenvalues --    3.02881   3.03252   3.15398   3.16423   3.22817
 Alpha virt. eigenvalues --    3.40376   3.42746   3.89477   4.11220   4.40909
 Alpha virt. eigenvalues --    4.68803
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   23.143806  -1.617443 -10.843099  -2.566000   1.329809  -2.310746
     2  C   -1.617443   9.633388   0.045001   0.185138  -1.911889   0.934377
     3  C  -10.843099   0.045001  20.386901  -0.218641  -6.883972   2.654804
     4  C   -2.566000   0.185138  -0.218641   8.189732  -0.006739  -0.247311
     5  C    1.329809  -1.911889  -6.883972  -0.006739  24.279860  -6.726388
     6  C   -2.310746   0.934377   2.654804  -0.247311  -6.726388  17.415694
     7  C    2.179955  -2.090237  -2.914780   0.474845   4.399496  -5.662497
     8  C   -1.730543   0.228866   1.806049  -0.503643  -5.706729   3.754906
     9  H   -2.569161   0.227402   1.408799   0.191162   0.003083   0.092702
    10  H    0.031353  -0.369230   0.214376   0.039958  -0.234672   0.281581
    11  H    0.447771  -0.448805  -0.020489  -0.041157   0.105033  -0.219007
    12  H    0.268945  -0.036954   0.189381  -0.339054  -0.008214  -0.033927
    13  H   -0.138254   0.012800   0.116762   0.291705  -0.209801   0.150802
    14  H   -0.342133   0.028549   0.195933   0.389521   0.052248  -0.030387
    15  H   -0.001374   0.163868   1.066883  -0.367644  -4.211861   0.922183
    16  C   -0.255624  -0.207322  -0.424862   0.194316   1.165532  -2.991657
    17  C    0.248477  -0.203983  -0.270333  -0.034373  -0.039840  -1.676927
    18  H    0.072289   0.583321  -0.027002  -0.033740  -0.353332   0.572773
    19  H   -0.481161   0.084993   0.621998   0.084721  -0.049276  -0.028781
    20  H    0.349667   0.127223  -0.074835  -0.229998  -0.819972   0.435093
    21  H    0.326350  -0.030899  -0.251013  -0.182271  -0.470441   0.709969
    22  H    0.041284  -0.041132   0.202454  -0.031938  -0.263183   0.173316
    23  H   -0.049722   0.059272   0.042896   0.057117   0.183909  -0.036298
    24  H    0.003796   0.006241   0.041098   0.044836  -0.008380   0.805552
    25  H   -0.011845   0.066374  -0.044206  -0.010985   0.077976   0.038827
    26  H    0.019206  -0.052337   0.071220  -0.022140  -0.158008  -0.166852
               7          8          9         10         11         12
     1  C    2.179955  -1.730543  -2.569161   0.031353   0.447771   0.268945
     2  C   -2.090237   0.228866   0.227402  -0.369230  -0.448805  -0.036954
     3  C   -2.914780   1.806049   1.408799   0.214376  -0.020489   0.189381
     4  C    0.474845  -0.503643   0.191162   0.039958  -0.041157  -0.339054
     5  C    4.399496  -5.706729   0.003083  -0.234672   0.105033  -0.008214
     6  C   -5.662497   3.754906   0.092702   0.281581  -0.219007  -0.033927
     7  C   17.411919  -5.252765  -0.336795  -0.051297   0.176695   0.028875
     8  C   -5.252765  11.652493   0.170054   0.043286   0.015974  -0.046723
     9  H   -0.336795   0.170054   2.630677  -0.056632  -0.044324  -0.056217
    10  H   -0.051297   0.043286  -0.056632   2.045268  -0.673975   0.000658
    11  H    0.176695   0.015974  -0.044324  -0.673975   2.147541  -0.005153
    12  H    0.028875  -0.046723  -0.056217   0.000658  -0.005153   1.596860
    13  H   -0.064896   0.096918   0.018143   0.001687  -0.001509  -0.189415
    14  H   -0.004257   0.017771   0.013692   0.001959   0.001240  -0.227656
    15  H   -0.478648   1.175796  -0.020646  -0.008331   0.012093   0.021034
    16  C    1.297188  -1.044387   0.074173   0.007072  -0.072815   0.032046
    17  C   -0.745435   0.170996  -0.012641   0.029993  -0.026843   0.004896
    18  H   -3.048359   0.919996   0.000369  -0.073180  -0.054137   0.000183
    19  H    0.275048  -0.824151   0.002998   0.041608  -0.011148  -0.000188
    20  H   -1.044625   0.654109  -0.006562  -0.070844   0.044932  -0.002902
    21  H   -0.301862   0.195906  -0.033318   0.018477  -0.059035   0.021845
    22  H    0.014742   0.076787   0.009055  -0.008834   0.023474  -0.003361
    23  H   -0.054463  -0.090014   0.002519   0.013496  -0.033097   0.002894
    24  H    0.063816  -0.239628  -0.001535   0.000365   0.003509   0.000661
    25  H   -0.050784   0.012308   0.000390  -0.004998   0.022954   0.000219
    26  H   -0.042253   0.055149  -0.000292   0.005309  -0.014090  -0.000667
              13         14         15         16         17         18
     1  C   -0.138254  -0.342133  -0.001374  -0.255624   0.248477   0.072289
     2  C    0.012800   0.028549   0.163868  -0.207322  -0.203983   0.583321
     3  C    0.116762   0.195933   1.066883  -0.424862  -0.270333  -0.027002
     4  C    0.291705   0.389521  -0.367644   0.194316  -0.034373  -0.033740
     5  C   -0.209801   0.052248  -4.211861   1.165532  -0.039840  -0.353332
     6  C    0.150802  -0.030387   0.922183  -2.991657  -1.676927   0.572773
     7  C   -0.064896  -0.004257  -0.478648   1.297188  -0.745435  -3.048359
     8  C    0.096918   0.017771   1.175796  -1.044387   0.170996   0.919996
     9  H    0.018143   0.013692  -0.020646   0.074173  -0.012641   0.000369
    10  H    0.001687   0.001959  -0.008331   0.007072   0.029993  -0.073180
    11  H   -0.001509   0.001240   0.012093  -0.072815  -0.026843  -0.054137
    12  H   -0.189415  -0.227656   0.021034   0.032046   0.004896   0.000183
    13  H    1.130006  -0.181245  -0.034419  -0.031190   0.021294  -0.003295
    14  H   -0.181245   1.139830   0.006720   0.010950  -0.033885  -0.002319
    15  H   -0.034419   0.006720   4.041401  -0.277473  -0.072944   0.004695
    16  C   -0.031190   0.010950  -0.277473   8.032926  -0.750698  -0.231463
    17  C    0.021294  -0.033885  -0.072944  -0.750698   7.926573   0.087657
    18  H   -0.003295  -0.002319   0.004695  -0.231463   0.087657   3.309460
    19  H    0.014055   0.008383  -0.128501   0.164692   0.018607  -0.113758
    20  H   -0.001591  -0.008908   0.225530  -0.149083   0.028872   0.171666
    21  H   -0.001618  -0.042813   0.027143  -0.044825   0.149929   0.003659
    22  H   -0.004120   0.012428   0.033776  -0.058765  -0.223804   0.004357
    23  H   -0.001067   0.007972  -0.006037  -0.068236   0.036405   0.009233
    24  H    0.001952   0.002073  -0.057283  -0.170006  -0.301061  -0.050030
    25  H   -0.000277  -0.001786   0.031647   0.015073   0.005644  -0.023841
    26  H    0.003651  -0.003131  -0.042017   0.202703   0.267199   0.020464
              19         20         21         22         23         24
     1  C   -0.481161   0.349667   0.326350   0.041284  -0.049722   0.003796
     2  C    0.084993   0.127223  -0.030899  -0.041132   0.059272   0.006241
     3  C    0.621998  -0.074835  -0.251013   0.202454   0.042896   0.041098
     4  C    0.084721  -0.229998  -0.182271  -0.031938   0.057117   0.044836
     5  C   -0.049276  -0.819972  -0.470441  -0.263183   0.183909  -0.008380
     6  C   -0.028781   0.435093   0.709969   0.173316  -0.036298   0.805552
     7  C    0.275048  -1.044625  -0.301862   0.014742  -0.054463   0.063816
     8  C   -0.824151   0.654109   0.195906   0.076787  -0.090014  -0.239628
     9  H    0.002998  -0.006562  -0.033318   0.009055   0.002519  -0.001535
    10  H    0.041608  -0.070844   0.018477  -0.008834   0.013496   0.000365
    11  H   -0.011148   0.044932  -0.059035   0.023474  -0.033097   0.003509
    12  H   -0.000188  -0.002902   0.021845  -0.003361   0.002894   0.000661
    13  H    0.014055  -0.001591  -0.001618  -0.004120  -0.001067   0.001952
    14  H    0.008383  -0.008908  -0.042813   0.012428   0.007972   0.002073
    15  H   -0.128501   0.225530   0.027143   0.033776  -0.006037  -0.057283
    16  C    0.164692  -0.149083  -0.044825  -0.058765  -0.068236  -0.170006
    17  C    0.018607   0.028872   0.149929  -0.223804   0.036405  -0.301061
    18  H   -0.113758   0.171666   0.003659   0.004357   0.009233  -0.050030
    19  H    2.919147  -1.072085   0.024416  -0.002802  -0.005180  -0.060728
    20  H   -1.072085   3.027646  -0.000977   0.007258  -0.006289  -0.007357
    21  H    0.024416  -0.000977   2.537949  -0.642620  -0.610120  -0.063454
    22  H   -0.002802   0.007258  -0.642620   2.170001  -0.300337   0.023732
    23  H   -0.005180  -0.006289  -0.610120  -0.300337   1.951491   0.036482
    24  H   -0.060728  -0.007357  -0.063454   0.023732   0.036482   2.114555
    25  H    0.007450   0.007713   0.014888   0.025858  -0.080091  -0.430486
    26  H    0.017540   0.002185   0.058047  -0.098115   0.010753  -0.453237
              25         26
     1  C   -0.011845   0.019206
     2  C    0.066374  -0.052337
     3  C   -0.044206   0.071220
     4  C   -0.010985  -0.022140
     5  C    0.077976  -0.158008
     6  C    0.038827  -0.166852
     7  C   -0.050784  -0.042253
     8  C    0.012308   0.055149
     9  H    0.000390  -0.000292
    10  H   -0.004998   0.005309
    11  H    0.022954  -0.014090
    12  H    0.000219  -0.000667
    13  H   -0.000277   0.003651
    14  H   -0.001786  -0.003131
    15  H    0.031647  -0.042017
    16  C    0.015073   0.202703
    17  C    0.005644   0.267199
    18  H   -0.023841   0.020464
    19  H    0.007450   0.017540
    20  H    0.007713   0.002185
    21  H    0.014888   0.058047
    22  H    0.025858  -0.098115
    23  H   -0.080091   0.010753
    24  H   -0.430486  -0.453237
    25  H    2.035327  -0.521544
    26  H   -0.521544   2.013155
 Mulliken charges:
               1
     1  C    0.454396
     2  C    0.623418
     3  C   -1.091321
     4  C    0.692583
     5  C    2.465753
     6  C   -2.811803
     7  C    1.821375
     8  C    0.391220
     9  H   -0.707096
    10  H   -0.224454
    11  H   -0.275633
    12  H   -0.218064
    13  H    0.002922
    14  H   -0.010747
    15  H   -1.025590
    16  C    1.581736
    17  C    1.396224
    18  H   -0.745663
    19  H   -0.507895
    20  H   -0.585864
    21  H   -0.353311
    22  H   -0.139510
    23  H   -0.073490
    24  H   -0.305482
    25  H   -0.181806
    26  H   -0.171898
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.252700
     2  C    0.123331
     3  C   -1.091321
     4  C    0.466693
     5  C    1.440163
     6  C   -2.811803
     7  C    1.075711
     8  C   -0.702538
    16  C    1.015425
    17  C    0.737038
 Electronic spatial extent (au):  <R**2>=           1369.3798
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0963    Y=             -0.1203    Z=             -0.0612  Tot=              0.1658
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.3389   YY=            -62.7775   ZZ=            -64.5056
   XY=             -0.6589   XZ=              0.4989   YZ=              0.9293
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.2017   YY=              0.7632   ZZ=             -0.9649
   XY=             -0.6589   XZ=              0.4989   YZ=              0.9293
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              3.2836  YYY=             -0.7211  ZZZ=             -2.6046  XYY=              1.0527
  XXY=              0.7474  XXZ=              2.0595  XZZ=             -0.6650  YZZ=              0.7407
  YYZ=              0.7573  XYZ=              1.0865
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -972.3312 YYYY=           -522.3965 ZZZZ=           -433.6418 XXXY=             -6.7580
 XXXZ=              5.3311 YYYX=              2.0859 YYYZ=             -2.4587 ZZZX=              1.5086
 ZZZY=              5.5559 XXYY=           -254.1705 XXZZ=           -230.2171 YYZZ=           -160.8015
 XXYZ=              5.2921 YYXZ=             -0.0219 ZZXY=             -1.2722
 N-N= 5.686660221298D+02 E-N=-2.041097422564D+03  KE= 3.878609939815D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 20:25:59 2021, MaxMem= 10737418240 cpu:               9.6 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.01354395D-02-4.67109708D-02-2.98293330D-02
 Polarizability= 1.17628112D+02-3.73203591D-01 1.14129905D+02
                 4.01355505D-01 4.33344675D+00 1.02520822D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1767   -0.1729       -0.0808   -0.0874
 2      0.1767    0.1729       -2.3209   -2.3168       -1.5805   -1.5828
 3      0.0808    0.0874        7.7930    7.7947        2.3123    2.3168
 4      2.3209    2.3168        0.0000    0.0000        0.0846    0.0874
 5     -6.2125   -6.2118       -0.0846   -0.0874       -0.1773   -0.1729
 6     -2.3123   -2.3168        0.1773    0.1729        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.5187    0.5187       -0.2622   -0.2622
 2      6.9505    6.9505        0.0000    0.0000       -0.2622   -0.2622
 3      6.9505    6.9505        0.5187    0.5187        0.0000    0.0000
 4      0.5187    0.5187       -6.9505   -6.9505       -4.7485   -4.7485
 5      0.2622    0.2622       23.3840   23.3840        6.9505    6.9505
 6    -18.6355  -18.6355       -0.2622   -0.2622       -0.5187   -0.5187
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4072    0.0000        0.5686    0.6916        0.3447    0.3496
 2     -0.5471   -0.6916       10.0781    9.2674        6.3567    6.3313
 3     -0.1066   -0.3496      -31.2365  -31.1786       -8.9163   -9.2674
 4     -9.6631   -9.2674       -0.1506    0.0000       -0.8169   -0.3496
 5     24.7017   24.8474       -0.1993    0.3496        0.7319    0.6916
 6      9.3440    9.2674       -0.8440   -0.6916        0.1758    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1742    0.0000       12.5284   12.0486       -7.0822   -6.8272
 2    -11.7552  -12.0486      -26.4441  -25.9502      -30.8843  -30.9381
 3      6.6542    6.8272      -28.4607  -28.5775       25.3534   25.9502
 4     25.6336   25.9502       -0.3598    0.0000        5.9144    6.8272
 5     59.4407   59.5156       -6.9829   -6.8272       13.2363   12.0486
 6    -25.6417  -25.9502      -12.0361  -12.0486        1.1184    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     22.5756   22.5219       38.1116   37.7692       -3.0006   -3.7045
 2     53.9047   54.0094       55.2068   54.9597       -4.1038   -3.7045
 3     53.6322   54.0094       38.0223   37.7692       -5.4594   -5.3894
 4    -16.9242  -17.1905      -31.7676  -31.4875      -38.2195  -38.7174
 5     -1.9653   -1.6849      -23.3321  -22.8185       30.8658   31.4875
 6     61.2860   61.5359        1.8726    1.6849       18.7724   17.1905
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.9800   -0.0005    0.0001    0.0005    5.6420    9.5001
 Low frequencies ---  124.3867  182.0856  195.0144
 Diagonal vibrational polarizability:
        1.7543591       1.9093594       3.3530616
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    124.3849               182.0848               195.0142
 Red. masses --      2.6490                 1.0304                 1.8429
 Frc consts  --      0.0241                 0.0201                 0.0413
 IR Inten    --      0.9979                 0.0619                 0.0468
 RamAct Fr= 1--      1.6747                 0.0502                 0.7148
  Dep-P Fr= 1--      0.7469                 0.7495                 0.7341
  Dep-U Fr= 1--      0.8551                 0.8568                 0.8467
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0002
 Beta2  Fr= 1--      0.2387                 0.0072                 0.1009
 AlphaG Fr= 1--     -0.0043                 0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0263                -0.0441                 0.2933
 Delta2 Fr= 1--     -0.0704                -0.0112                 0.0132
 Raman1 Fr= 1--       6.699                  0.201                  2.859
 ROA1   Fr= 1--      -4.781                 -4.596                 28.575
 CID1   Fr= 1--      -0.714                -22.910                  9.994
 Raman2 Fr= 1--       2.864                  0.086                  1.210
 ROA2   Fr= 1--      -0.068                 -0.969                  6.933
 CID2   Fr= 1--      -0.024                -11.278                  5.728
 Raman3 Fr= 1--       5.728                  0.172                  2.421
 ROA3   Fr= 1--      -4.781                 -4.596                 28.575
 CID3   Fr= 1--      -0.835                -26.738                 11.804
 RC180  Fr= 1--       0.710                  0.714                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.07    -0.00  -0.01   0.01     0.00   0.03  -0.03
     2   6     0.01   0.05  -0.04     0.01   0.01  -0.01    -0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.05    -0.01  -0.01   0.01     0.00   0.01   0.02
     4   6    -0.12  -0.10   0.21    -0.00  -0.00  -0.02     0.06   0.07   0.03
     5   6     0.00   0.07  -0.09    -0.01  -0.00   0.01    -0.00  -0.05   0.03
     6   6     0.04  -0.01  -0.02    -0.00   0.01   0.00    -0.01  -0.02   0.00
     7   6    -0.02   0.02   0.03     0.00   0.01  -0.00     0.02  -0.02  -0.01
     8   6    -0.06   0.08  -0.01     0.00  -0.00   0.00     0.02  -0.06  -0.00
     9   1    -0.02  -0.00   0.01    -0.00  -0.01   0.01     0.02   0.07  -0.10
    10   1    -0.03   0.04  -0.07     0.02  -0.01  -0.04    -0.03   0.02  -0.01
    11   1     0.06   0.05  -0.03     0.00   0.05  -0.02    -0.01  -0.01  -0.01
    12   1    -0.13  -0.14   0.25    -0.02  -0.03   0.03     0.15   0.30  -0.29
    13   1    -0.05  -0.33   0.29     0.02   0.07  -0.03    -0.16  -0.22   0.05
    14   1    -0.30   0.02   0.35    -0.01  -0.03  -0.09     0.26   0.19   0.39
    15   1     0.01   0.09  -0.13    -0.01  -0.00   0.01     0.02  -0.06   0.05
    16   6     0.15  -0.11  -0.05     0.01  -0.02  -0.00     0.01  -0.14  -0.03
    17   6     0.03  -0.02   0.03    -0.00   0.01   0.00    -0.10   0.16   0.01
    18   1    -0.05  -0.01   0.09     0.01   0.01  -0.01     0.01  -0.03  -0.04
    19   1    -0.08   0.08   0.00     0.00   0.00   0.00     0.02  -0.06  -0.00
    20   1    -0.10   0.13  -0.02     0.01  -0.01   0.00     0.03  -0.09  -0.01
    21   1     0.13  -0.03  -0.07    -0.17   0.33   0.11     0.01  -0.17  -0.02
    22   1     0.28  -0.12  -0.14     0.45  -0.05  -0.08     0.03  -0.15  -0.15
    23   1     0.12  -0.25   0.03    -0.22  -0.40  -0.05     0.01  -0.22   0.04
    24   1    -0.05   0.04   0.05     0.17  -0.30  -0.09    -0.12   0.25   0.04
    25   1     0.05  -0.10   0.11    -0.03   0.29  -0.24    -0.01   0.25   0.08
    26   1     0.08  -0.03  -0.04    -0.15   0.05   0.34    -0.25   0.15  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    204.2232               225.1366               264.2680
 Red. masses --      1.2526                 1.1172                 2.8534
 Frc consts  --      0.0308                 0.0334                 0.1174
 IR Inten    --      0.1289                 0.1561                 0.0331
 RamAct Fr= 1--      0.2531                 0.3013                 1.6924
  Dep-P Fr= 1--      0.7438                 0.7495                 0.5874
  Dep-U Fr= 1--      0.8531                 0.8568                 0.7400
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0051
 Beta2  Fr= 1--      0.0360                 0.0430                 0.2087
 AlphaG Fr= 1--      0.0011                 0.0004                 0.0033
 Gamma2 Fr= 1--     -0.2791                 0.2242                 0.0613
 Delta2 Fr= 1--      0.0277                 0.0159                 0.0069
 Raman1 Fr= 1--       1.012                  1.205                  6.770
 ROA1   Fr= 1--     -25.901                 22.029                  6.107
 CID1   Fr= 1--     -25.582                 18.278                  0.902
 Raman2 Fr= 1--       0.432                  0.516                  2.505
 ROA2   Fr= 1--      -6.919                  5.253                  1.416
 CID2   Fr= 1--     -16.022                 10.174                  0.565
 Raman3 Fr= 1--       0.864                  1.033                  5.010
 ROA3   Fr= 1--     -25.901                 22.029                  6.107
 CID3   Fr= 1--     -29.988                 21.332                  1.219
 RC180  Fr= 1--       0.706                  0.714                  0.480
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.01  -0.00  -0.01    -0.12  -0.10   0.17
     2   6    -0.01   0.01  -0.03    -0.02  -0.02   0.03    -0.09  -0.06   0.08
     3   6    -0.01  -0.00   0.02     0.01   0.01  -0.03    -0.04  -0.03   0.01
     4   6     0.03   0.03   0.02     0.01   0.01   0.03    -0.01   0.01  -0.02
     5   6     0.00  -0.02  -0.01     0.01   0.00  -0.04     0.01  -0.00  -0.08
     6   6     0.00  -0.01  -0.00     0.01  -0.03  -0.01     0.02   0.03  -0.06
     7   6     0.01  -0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.11
     8   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01     0.07   0.01  -0.08
     9   1    -0.03  -0.01   0.04    -0.02  -0.01   0.01    -0.17  -0.15   0.29
    10   1     0.01  -0.01  -0.06    -0.05   0.00   0.08     0.02  -0.04   0.20
    11   1    -0.03   0.04  -0.04    -0.02  -0.08   0.04    -0.25  -0.14   0.04
    12   1    -0.15  -0.13   0.46    -0.02   0.02   0.08     0.06   0.11  -0.21
    13   1     0.39   0.44   0.02     0.07  -0.01   0.05    -0.16  -0.12  -0.03
    14   1    -0.11  -0.15  -0.44    -0.02   0.02   0.03     0.11   0.06   0.16
    15   1     0.01  -0.03   0.00     0.03   0.02  -0.07     0.01  -0.00  -0.08
    16   6     0.04  -0.05  -0.02     0.03   0.00  -0.01     0.17   0.12  -0.05
    17   6    -0.05   0.08   0.04    -0.02   0.02   0.02    -0.03   0.01   0.11
    18   1    -0.00  -0.02  -0.04    -0.02  -0.04   0.03    -0.00   0.00  -0.17
    19   1     0.00  -0.04  -0.01    -0.02   0.03   0.00     0.08   0.01  -0.10
    20   1     0.00  -0.04  -0.03    -0.03   0.04  -0.01     0.09  -0.01  -0.07
    21   1     0.07  -0.09  -0.04     0.17  -0.26  -0.11     0.15   0.24  -0.12
    22   1     0.02  -0.05  -0.06    -0.31   0.03   0.06     0.31   0.12  -0.00
    23   1     0.08  -0.05   0.03     0.21   0.30   0.03     0.15   0.04  -0.01
    24   1    -0.14   0.19   0.08     0.17  -0.34  -0.09    -0.19   0.06   0.15
    25   1     0.02   0.06   0.16    -0.02   0.38  -0.25     0.05  -0.02   0.26
    26   1    -0.09   0.06  -0.06    -0.24   0.07   0.42    -0.00   0.01   0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    307.1169               336.7965               390.9425
 Red. masses --      2.3115                 1.8960                 2.2632
 Frc consts  --      0.1285                 0.1267                 0.2038
 IR Inten    --      0.8534                 1.1205                 0.1308
 RamAct Fr= 1--      1.2417                 0.2246                 1.1600
  Dep-P Fr= 1--      0.6854                 0.5981                 0.7444
  Dep-U Fr= 1--      0.8133                 0.7485                 0.8535
 Alpha2 Fr= 1--      0.0014                 0.0006                 0.0001
 Beta2  Fr= 1--      0.1683                 0.0280                 0.1650
 AlphaG Fr= 1--      0.0170                -0.0099                 0.0000
 Gamma2 Fr= 1--      0.0443                -0.0326                -0.7240
 Delta2 Fr= 1--      0.0483                 0.0046                -0.0263
 Raman1 Fr= 1--       4.967                  0.898                  4.640
 ROA1   Fr= 1--       5.796                 -2.981                -70.343
 CID1   Fr= 1--       1.167                 -3.319                -15.160
 Raman2 Fr= 1--       2.020                  0.336                  1.980
 ROA2   Fr= 1--       0.677                 -0.819                -17.165
 CID2   Fr= 1--       0.335                 -2.436                 -8.669
 Raman3 Fr= 1--       4.039                  0.672                  3.960
 ROA3   Fr= 1--       5.796                 -2.981                -70.343
 CID3   Fr= 1--       1.435                 -4.434                -17.763
 RC180  Fr= 1--       0.627                  0.497                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.09    -0.05  -0.11   0.13    -0.03   0.01   0.07
     2   6     0.03  -0.09   0.05     0.08   0.06  -0.12    -0.07  -0.01  -0.04
     3   6     0.03  -0.06  -0.11    -0.03  -0.05   0.01     0.08   0.06  -0.04
     4   6     0.16   0.05   0.11     0.06   0.04   0.01    -0.02  -0.06  -0.04
     5   6    -0.02  -0.01  -0.08    -0.02   0.03  -0.04     0.11   0.01  -0.06
     6   6    -0.02  -0.01  -0.02     0.00   0.01   0.01     0.10  -0.10   0.01
     7   6    -0.02  -0.01   0.04    -0.01   0.03   0.03    -0.05  -0.12   0.05
     8   6    -0.08   0.06   0.00    -0.07   0.05   0.00    -0.06  -0.01   0.01
     9   1     0.03  -0.10  -0.08    -0.08  -0.20   0.25    -0.10   0.02   0.21
    10   1    -0.00  -0.04   0.15     0.26  -0.14  -0.47    -0.09  -0.08  -0.20
    11   1     0.09  -0.22   0.09     0.11   0.47  -0.20    -0.06   0.15  -0.07
    12   1     0.00   0.25   0.24     0.05   0.20  -0.08     0.06  -0.19  -0.07
    13   1     0.40  -0.02   0.19     0.03   0.02   0.01    -0.09  -0.12  -0.04
    14   1     0.24   0.05   0.17     0.24   0.03   0.09    -0.15  -0.00  -0.01
    15   1    -0.08   0.03  -0.15    -0.06   0.04  -0.07     0.19   0.04  -0.11
    16   6    -0.07   0.10   0.00    -0.01  -0.04  -0.00    -0.03   0.05   0.07
    17   6    -0.05   0.00   0.02     0.02  -0.03   0.01     0.03   0.12  -0.03
    18   1     0.00   0.02   0.12    -0.00   0.04   0.08    -0.13  -0.23   0.15
    19   1    -0.11   0.08   0.04    -0.09   0.04   0.02    -0.05  -0.07   0.01
    20   1    -0.11   0.09  -0.02    -0.10   0.07  -0.02    -0.15   0.11   0.00
    21   1    -0.18   0.33   0.07     0.03  -0.16  -0.00    -0.13   0.22   0.16
    22   1     0.14   0.10   0.10    -0.14  -0.04  -0.03     0.03   0.07   0.25
    23   1    -0.21  -0.01  -0.12     0.04   0.04   0.02    -0.16   0.09  -0.14
    24   1    -0.13   0.08   0.04     0.03  -0.09  -0.01     0.04   0.32   0.01
    25   1    -0.02  -0.05   0.11    -0.01  -0.03  -0.03     0.13   0.23   0.04
    26   1    -0.02  -0.01  -0.06     0.06  -0.02   0.06    -0.20   0.11  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.1011               430.4228               467.2026
 Red. masses --      2.4370                 2.2223                 2.9458
 Frc consts  --      0.2264                 0.2426                 0.3788
 IR Inten    --      0.2618                 1.0229                 0.1932
 RamAct Fr= 1--      1.6861                 0.8151                 2.5299
  Dep-P Fr= 1--      0.1338                 0.6899                 0.3690
  Dep-U Fr= 1--      0.2360                 0.8165                 0.5391
 Alpha2 Fr= 1--      0.0272                 0.0009                 0.0209
 Beta2  Fr= 1--      0.0663                 0.1109                 0.2273
 AlphaG Fr= 1--      0.0314                -0.0033                 0.0094
 Gamma2 Fr= 1--     -0.0800                -0.1831                -0.0663
 Delta2 Fr= 1--      0.0063                 0.0616                -0.1633
 Raman1 Fr= 1--       6.744                  3.260                 10.120
 ROA1   Fr= 1--      -7.476                -15.610                -11.590
 CID1   Fr= 1--      -1.109                 -4.788                 -1.145
 Raman2 Fr= 1--       0.796                  1.331                  2.728
 ROA2   Fr= 1--      -1.970                 -4.888                 -0.285
 CID2   Fr= 1--      -2.476                 -3.672                 -0.105
 Raman3 Fr= 1--       1.592                  2.662                  5.456
 ROA3   Fr= 1--      -7.476                -15.610                -11.590
 CID3   Fr= 1--      -4.697                 -5.863                 -2.124
 RC180  Fr= 1--      -0.528                  0.633                  0.078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.05   0.04    -0.01   0.02  -0.08    -0.13  -0.05  -0.08
     2   6     0.04   0.01   0.00    -0.04   0.02  -0.07    -0.06   0.03  -0.01
     3   6     0.07   0.07  -0.00    -0.00  -0.06   0.06    -0.09  -0.03  -0.12
     4   6    -0.01  -0.02  -0.02     0.03  -0.04  -0.01    -0.05   0.04   0.00
     5   6     0.08   0.06  -0.05     0.01   0.00  -0.01    -0.05  -0.05  -0.07
     6   6     0.01  -0.01  -0.06    -0.05  -0.07  -0.02     0.12   0.03   0.08
     7   6     0.05   0.01  -0.05    -0.07  -0.05   0.04     0.03   0.01  -0.03
     8   6     0.03   0.03  -0.05     0.17   0.13   0.09     0.12   0.04  -0.03
     9   1     0.04   0.04   0.10    -0.00   0.10  -0.16    -0.12  -0.13  -0.05
    10   1     0.02   0.03   0.02    -0.09  -0.06  -0.27    -0.02   0.05   0.07
    11   1    -0.01  -0.01  -0.01     0.09   0.19  -0.07    -0.07  -0.06   0.01
    12   1     0.05  -0.13  -0.04     0.05  -0.03  -0.05    -0.12   0.15   0.06
    13   1    -0.06  -0.06  -0.02    -0.02   0.03  -0.04     0.07  -0.02   0.05
    14   1    -0.11   0.01  -0.01     0.09  -0.07  -0.05    -0.02   0.06   0.05
    15   1     0.16   0.07  -0.08     0.02   0.07  -0.13    -0.15  -0.05  -0.05
    16   6    -0.17  -0.06  -0.06     0.02   0.03  -0.01    -0.08  -0.07   0.12
    17   6    -0.07  -0.08   0.19    -0.10  -0.04   0.04     0.18   0.06   0.09
    18   1     0.06   0.03  -0.05    -0.09  -0.08   0.01    -0.03  -0.07  -0.09
    19   1    -0.01  -0.04   0.01     0.37   0.26  -0.17     0.21   0.24  -0.20
    20   1    -0.02   0.05  -0.11     0.31   0.22   0.43     0.29  -0.02   0.18
    21   1    -0.25  -0.11   0.15     0.04   0.10  -0.09    -0.16  -0.17   0.37
    22   1    -0.25  -0.06  -0.12     0.06   0.04   0.11    -0.20  -0.08   0.01
    23   1    -0.28  -0.07  -0.20     0.05   0.07  -0.01    -0.19  -0.09  -0.03
    24   1    -0.34  -0.19   0.21    -0.12  -0.01   0.04     0.23   0.07   0.08
    25   1     0.06  -0.04   0.37    -0.05   0.00   0.08     0.15   0.04   0.06
    26   1    -0.02  -0.06   0.34    -0.15  -0.04   0.03     0.19   0.05   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    489.6757               578.3572               629.1329
 Red. masses --      3.7393                 3.0073                 3.6147
 Frc consts  --      0.5283                 0.5927                 0.8430
 IR Inten    --      0.4536                 1.4831                 0.8058
 RamAct Fr= 1--      2.1642                 5.2059                 3.0381
  Dep-P Fr= 1--      0.5010                 0.1397                 0.5228
  Dep-U Fr= 1--      0.6675                 0.2452                 0.6866
 Alpha2 Fr= 1--      0.0106                 0.0826                 0.0134
 Beta2  Fr= 1--      0.2408                 0.2127                 0.3477
 AlphaG Fr= 1--     -0.0176                -0.0667                 0.0161
 Gamma2 Fr= 1--      0.5623                -0.9809                 1.0096
 Delta2 Fr= 1--      0.1541                -0.6228                 0.8212
 Raman1 Fr= 1--       8.657                 20.824                 12.152
 ROA1   Fr= 1--      58.914               -114.094                123.200
 CID1   Fr= 1--       6.806                 -5.479                 10.138
 Raman2 Fr= 1--       2.889                  2.553                  4.172
 ROA2   Fr= 1--      12.262                -18.558                 17.661
 CID2   Fr= 1--       4.244                 -7.270                  4.233
 Raman3 Fr= 1--       5.779                  5.105                  8.344
 ROA3   Fr= 1--      58.914               -114.094                123.200
 CID3   Fr= 1--      10.195                -22.349                 14.765
 RC180  Fr= 1--       0.335                 -0.510                  0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.02   0.02  -0.09     0.13   0.01   0.00
     2   6    -0.15  -0.06  -0.07    -0.01   0.02   0.00     0.07  -0.16  -0.09
     3   6     0.16  -0.07   0.03    -0.11  -0.14   0.24    -0.06  -0.03   0.17
     4   6     0.18  -0.18  -0.02    -0.02  -0.01   0.02    -0.07   0.07   0.03
     5   6     0.05   0.10   0.10     0.02  -0.02  -0.02     0.00   0.13  -0.06
     6   6    -0.02   0.16   0.05     0.12  -0.01  -0.09    -0.03  -0.05   0.06
     7   6    -0.18   0.09  -0.10    -0.01  -0.01   0.05     0.01  -0.05  -0.13
     8   6    -0.06   0.05  -0.01    -0.08   0.02   0.01    -0.04   0.11  -0.17
     9   1    -0.13   0.17   0.03     0.05   0.09  -0.26     0.12   0.03   0.01
    10   1    -0.09  -0.01   0.08    -0.09   0.07   0.08    -0.02  -0.03   0.14
    11   1    -0.18  -0.19  -0.06     0.05  -0.10   0.04    -0.06  -0.39  -0.08
    12   1     0.22  -0.25  -0.04     0.03   0.09  -0.13    -0.04   0.15  -0.08
    13   1     0.14  -0.17  -0.03    -0.21   0.26  -0.09    -0.20   0.25  -0.05
    14   1     0.15  -0.18  -0.03     0.29  -0.17  -0.10     0.16  -0.04  -0.05
    15   1    -0.12   0.09   0.12     0.02  -0.00  -0.05     0.10   0.16  -0.11
    16   6    -0.02  -0.05   0.02    -0.01   0.03  -0.15     0.02  -0.05   0.22
    17   6     0.07   0.05   0.03     0.14   0.06   0.05    -0.03  -0.01  -0.02
    18   1    -0.16   0.11  -0.11    -0.08  -0.11   0.16     0.08   0.06   0.01
    19   1     0.05  -0.14  -0.06    -0.17  -0.07   0.14     0.04   0.02  -0.23
    20   1    -0.11   0.15   0.02    -0.20   0.07  -0.12    -0.06   0.21  -0.10
    21   1     0.03  -0.24   0.07    -0.08   0.02   0.00     0.02  -0.05   0.22
    22   1    -0.08  -0.08  -0.28    -0.10   0.04  -0.10     0.02  -0.05   0.24
    23   1     0.03  -0.16   0.17    -0.10   0.10  -0.33     0.02  -0.06   0.22
    24   1     0.10   0.01   0.02    -0.01   0.01   0.07     0.11   0.09  -0.02
    25   1     0.02   0.02  -0.02     0.24   0.11   0.15    -0.08   0.01  -0.10
    26   1     0.13   0.06   0.07     0.12   0.06   0.11    -0.13  -0.02  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    677.5980               784.1203               809.7346
 Red. masses --      3.2757                 2.5695                 1.2012
 Frc consts  --      0.8861                 0.9308                 0.4640
 IR Inten    --      0.0523                 3.0092                13.7459
 RamAct Fr= 1--     16.9866                 6.3293                 0.6589
  Dep-P Fr= 1--      0.0118                 0.1472                 0.6487
  Dep-U Fr= 1--      0.0233                 0.2567                 0.7869
 Alpha2 Fr= 1--      0.3672                 0.0985                 0.0012
 Beta2  Fr= 1--      0.0660                 0.2708                 0.0864
 AlphaG Fr= 1--      0.0948                 0.0571                -0.0459
 Gamma2 Fr= 1--      0.6493                 2.2372                -2.2520
 Delta2 Fr= 1--      0.2347                -0.1270                -1.2379
 Raman1 Fr= 1--      67.946                 25.317                  2.636
 ROA1   Fr= 1--      69.842                210.708               -255.804
 CID1   Fr= 1--       1.028                  8.323                -97.057
 Raman2 Fr= 1--       0.792                  3.249                  1.037
 ROA2   Fr= 1--      13.706                 54.709                -44.145
 CID2   Fr= 1--      17.311                 16.838                -42.570
 Raman3 Fr= 1--       1.583                  6.498                  2.074
 ROA3   Fr= 1--      69.842                210.708               -255.804
 CID3   Fr= 1--      44.107                 32.424               -123.339
 RC180  Fr= 1--      -0.953                 -0.487                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.04  -0.04    -0.07  -0.06  -0.09     0.05   0.05  -0.05
     2   6    -0.03   0.25   0.07     0.01  -0.06  -0.07     0.02   0.04  -0.04
     3   6    -0.01  -0.07   0.06    -0.02  -0.04  -0.03     0.00   0.01   0.00
     4   6     0.11  -0.13  -0.00    -0.10   0.07   0.00     0.00  -0.01   0.02
     5   6     0.03  -0.04  -0.13     0.19   0.06  -0.01    -0.02  -0.02  -0.01
     6   6     0.01  -0.08   0.01    -0.01   0.02   0.01    -0.01   0.02   0.01
     7   6     0.09   0.12  -0.03    -0.01   0.08  -0.02    -0.02  -0.03   0.03
     8   6    -0.00   0.00  -0.02     0.07  -0.05   0.21    -0.01  -0.03  -0.00
     9   1    -0.10  -0.02   0.01    -0.17  -0.18   0.17    -0.23  -0.36   0.74
    10   1     0.01   0.32   0.24     0.07  -0.02   0.06    -0.16   0.16   0.13
    11   1    -0.06   0.06   0.10     0.09  -0.18  -0.02     0.10  -0.20   0.03
    12   1     0.16  -0.13  -0.08    -0.12   0.15  -0.02     0.05   0.02  -0.09
    13   1     0.01  -0.02  -0.05    -0.10   0.10  -0.01    -0.08   0.11  -0.04
    14   1     0.21  -0.18  -0.06    -0.04   0.05  -0.01     0.13  -0.08  -0.05
    15   1     0.06   0.03  -0.26     0.22   0.20  -0.27    -0.03  -0.04   0.03
    16   6     0.02  -0.04   0.15    -0.00   0.00   0.03    -0.01   0.01  -0.03
    17   6    -0.10  -0.05  -0.05    -0.02  -0.00  -0.02    -0.00   0.01   0.01
    18   1     0.03   0.03  -0.19     0.05   0.15  -0.20    -0.05  -0.06   0.09
    19   1    -0.20   0.01   0.19    -0.01  -0.43   0.41     0.08   0.06  -0.12
    20   1    -0.09  -0.09  -0.29    -0.19   0.05  -0.11     0.08  -0.04   0.14
    21   1     0.00   0.04   0.13     0.01  -0.02   0.01     0.00   0.00  -0.04
    22   1     0.03  -0.03   0.31     0.02  -0.01  -0.03     0.01   0.01  -0.06
    23   1     0.01   0.03   0.07     0.02  -0.04   0.08     0.01  -0.01   0.01
    24   1    -0.04  -0.01  -0.05    -0.07  -0.01  -0.01     0.02  -0.01  -0.00
    25   1    -0.12  -0.05  -0.09    -0.00   0.01  -0.00    -0.04  -0.03  -0.02
    26   1    -0.15  -0.06  -0.11    -0.04   0.00   0.00     0.05   0.01   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    829.6739               853.3449               900.6156
 Red. masses --      2.3046                 2.5309                 2.4746
 Frc consts  --      0.9347                 1.0859                 1.1826
 IR Inten    --      0.1607                 0.7871                 3.2586
 RamAct Fr= 1--      4.0930                 7.9677                 2.0599
  Dep-P Fr= 1--      0.7439                 0.4223                 0.5979
  Dep-U Fr= 1--      0.8531                 0.5938                 0.7484
 Alpha2 Fr= 1--      0.0004                 0.0544                 0.0058
 Beta2  Fr= 1--      0.5820                 0.7885                 0.2569
 AlphaG Fr= 1--     -0.0074                 0.0389                 0.0270
 Gamma2 Fr= 1--     -0.7348                -0.3904                -2.2040
 Delta2 Fr= 1--      0.4404                 0.1283                -0.4783
 Raman1 Fr= 1--      16.372                 31.871                  8.239
 ROA1   Fr= 1--     -56.443                -33.375               -226.892
 CID1   Fr= 1--      -3.448                 -1.047                -27.537
 Raman2 Fr= 1--       6.984                  9.462                  3.083
 ROA2   Fr= 1--     -21.157                -10.396                -49.069
 CID2   Fr= 1--      -3.030                 -1.099                -15.915
 Raman3 Fr= 1--      13.967                 18.924                  6.166
 ROA3   Fr= 1--     -56.443                -33.375               -226.892
 CID3   Fr= 1--      -4.041                 -1.764                -36.796
 RC180  Fr= 1--       0.706                  0.188                  0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.01    -0.05   0.04   0.01    -0.13   0.00  -0.11
     2   6    -0.06  -0.07   0.00    -0.03  -0.09  -0.13    -0.02  -0.07   0.02
     3   6     0.00   0.01   0.04     0.04   0.04   0.00     0.00  -0.01  -0.01
     4   6     0.02  -0.01   0.01     0.02   0.00   0.01     0.00  -0.01  -0.00
     5   6     0.03  -0.04  -0.14    -0.08  -0.09   0.08     0.00   0.10   0.15
     6   6    -0.08   0.14   0.04     0.03  -0.07  -0.01     0.07   0.01  -0.03
     7   6     0.13  -0.13   0.09     0.18   0.02  -0.08     0.07   0.01   0.11
     8   6     0.04  -0.01  -0.01    -0.06   0.13   0.13     0.09   0.05  -0.15
     9   1    -0.06   0.15  -0.04    -0.18   0.11   0.20    -0.30  -0.03   0.22
    10   1    -0.22  -0.14  -0.24    -0.06   0.00   0.05    -0.03  -0.15  -0.17
    11   1    -0.04   0.13  -0.03    -0.23  -0.26  -0.15     0.20   0.10   0.05
    12   1     0.09  -0.10  -0.04     0.09  -0.12  -0.02    -0.01   0.03  -0.01
    13   1    -0.09   0.03  -0.03    -0.05  -0.01  -0.01     0.02   0.00  -0.00
    14   1    -0.00  -0.03  -0.04    -0.09   0.02  -0.02     0.03  -0.02  -0.00
    15   1     0.06  -0.02  -0.19    -0.11  -0.11   0.12    -0.09  -0.02   0.39
    16   6    -0.03   0.04   0.02     0.01  -0.01  -0.03     0.03  -0.01   0.02
    17   6    -0.02   0.05   0.01     0.01  -0.01  -0.00    -0.06  -0.04  -0.06
    18   1     0.17  -0.09   0.08     0.28   0.15  -0.19     0.05  -0.01   0.31
    19   1    -0.17   0.13   0.18    -0.28   0.45   0.28    -0.10  -0.10   0.09
    20   1    -0.06   0.01  -0.16    -0.07   0.08   0.07     0.02  -0.08  -0.43
    21   1     0.05  -0.09  -0.03    -0.02   0.04  -0.02    -0.02  -0.01   0.13
    22   1     0.03   0.00  -0.28    -0.00   0.00   0.10    -0.03  -0.00   0.08
    23   1     0.05  -0.15   0.28    -0.02   0.06  -0.12    -0.02   0.03  -0.08
    24   1     0.06  -0.13  -0.03    -0.01   0.01   0.00    -0.26  -0.08  -0.04
    25   1    -0.24  -0.23  -0.11     0.05   0.03   0.03     0.07   0.04   0.08
    26   1     0.37   0.05   0.07    -0.06  -0.02  -0.02    -0.12  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    922.5495               942.0762               955.2480
 Red. masses --      2.1860                 1.8985                 1.5453
 Frc consts  --      1.0962                 0.9927                 0.8308
 IR Inten    --      0.5143                 1.5823                 0.3783
 RamAct Fr= 1--      4.8679                 1.7387                 4.5318
  Dep-P Fr= 1--      0.1687                 0.7499                 0.6127
  Dep-U Fr= 1--      0.2887                 0.8571                 0.7599
 Alpha2 Fr= 1--      0.0717                 0.0000                 0.0114
 Beta2  Fr= 1--      0.2343                 0.2484                 0.5739
 AlphaG Fr= 1--     -0.0099                 0.0001                -0.0139
 Gamma2 Fr= 1--      0.5876                 1.9781                -0.6392
 Delta2 Fr= 1--      0.6187                 0.1919                 0.4836
 Raman1 Fr= 1--      19.472                  6.955                 18.127
 ROA1   Fr= 1--      76.210                196.044                -45.890
 CID1   Fr= 1--       3.914                 28.188                 -2.532
 Raman2 Fr= 1--       2.811                  2.981                  6.887
 ROA2   Fr= 1--       9.153                 45.940                -19.210
 CID2   Fr= 1--       3.256                 15.413                 -2.789
 Raman3 Fr= 1--       5.622                  5.961                 13.774
 ROA3   Fr= 1--      76.210                196.044                -45.890
 CID3   Fr= 1--      13.556                 32.887                 -3.332
 RC180  Fr= 1--      -0.423                  0.714                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.05   0.00    -0.10   0.03  -0.01     0.00  -0.01   0.03
     2   6    -0.06  -0.04   0.02     0.06  -0.10  -0.03    -0.01   0.01  -0.04
     3   6    -0.03   0.02  -0.00     0.05   0.04   0.05    -0.01   0.00  -0.00
     4   6     0.03  -0.06  -0.02     0.04   0.04   0.04    -0.00  -0.02  -0.01
     5   6    -0.14   0.17  -0.02    -0.05  -0.00  -0.09    -0.03   0.06  -0.01
     6   6    -0.06  -0.08   0.02    -0.01  -0.02  -0.01     0.08   0.03   0.06
     7   6     0.03  -0.01   0.00    -0.05   0.12   0.06     0.03  -0.02   0.02
     8   6     0.08  -0.06   0.04    -0.01  -0.09  -0.01     0.01  -0.03   0.03
     9   1     0.01   0.00   0.16    -0.20   0.30  -0.02     0.04   0.06  -0.08
    10   1    -0.19  -0.10  -0.20     0.25  -0.11   0.05    -0.05   0.07   0.07
    11   1    -0.06   0.15  -0.02     0.24  -0.10   0.03    -0.10  -0.12  -0.04
    12   1    -0.07   0.13   0.02     0.25  -0.31  -0.07    -0.04   0.06   0.02
    13   1     0.18  -0.04   0.02    -0.24   0.05  -0.04     0.07  -0.02   0.01
    14   1     0.19  -0.08   0.04    -0.18   0.04  -0.09     0.05  -0.02   0.02
    15   1    -0.15   0.28  -0.24    -0.03   0.04  -0.19    -0.06   0.08  -0.06
    16   6    -0.02  -0.04  -0.05     0.01  -0.03  -0.01     0.09   0.05  -0.06
    17   6     0.09   0.02   0.05     0.01   0.01   0.02    -0.10  -0.05   0.03
    18   1     0.12   0.10  -0.19     0.04   0.24   0.19    -0.01  -0.06   0.10
    19   1    -0.06  -0.14   0.22     0.11   0.03  -0.18     0.04  -0.07   0.00
    20   1     0.07  -0.30  -0.24     0.20  -0.27   0.11     0.03  -0.06   0.04
    21   1    -0.02   0.13  -0.19    -0.03   0.06   0.01    -0.08  -0.14   0.46
    22   1     0.03  -0.00   0.23    -0.01  -0.00   0.17    -0.22   0.03  -0.28
    23   1     0.02   0.11  -0.11    -0.02   0.08  -0.13    -0.17   0.00  -0.40
    24   1     0.20   0.12   0.06     0.10   0.02   0.01     0.26   0.10  -0.00
    25   1     0.08   0.08  -0.01    -0.04  -0.02  -0.04    -0.30  -0.10  -0.24
    26   1    -0.02   0.01  -0.04     0.04   0.00  -0.01    -0.13  -0.07  -0.21
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4039               976.4729              1023.2539
 Red. masses --      1.5663                 2.1247                 1.3869
 Frc consts  --      0.8780                 1.1936                 0.8556
 IR Inten    --      1.4656                 2.7724                 0.4239
 RamAct Fr= 1--      4.3092                 2.8910                 1.6223
  Dep-P Fr= 1--      0.4210                 0.7303                 0.6354
  Dep-U Fr= 1--      0.5925                 0.8441                 0.7771
 Alpha2 Fr= 1--      0.0296                 0.0010                 0.0034
 Beta2  Fr= 1--      0.4256                 0.4067                 0.2101
 AlphaG Fr= 1--     -0.0172                 0.0047                -0.0272
 Gamma2 Fr= 1--      1.6527                -0.0404                 0.1546
 Delta2 Fr= 1--      0.7378                -1.0671                -0.2035
 Raman1 Fr= 1--      17.237                 11.564                  6.489
 ROA1   Fr= 1--     182.267                -38.028                  8.325
 CID1   Fr= 1--      10.574                 -3.289                  1.283
 Raman2 Fr= 1--       5.107                  4.881                  2.521
 ROA2   Fr= 1--      33.763                  7.567                  5.338
 CID2   Fr= 1--       6.611                  1.550                  2.117
 Raman3 Fr= 1--      10.213                  9.761                  5.042
 ROA3   Fr= 1--     182.267                -38.028                  8.325
 CID3   Fr= 1--      17.846                 -3.896                  1.651
 RC180  Fr= 1--       0.185                  0.688                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02  -0.07    -0.12  -0.02  -0.03     0.04  -0.02  -0.02
     2   6    -0.03  -0.05   0.12     0.06   0.04   0.01    -0.03  -0.00   0.02
     3   6     0.02  -0.01   0.02    -0.00  -0.01  -0.01     0.02  -0.02   0.01
     4   6    -0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.03  -0.01
     5   6     0.01  -0.07  -0.02     0.07   0.02   0.06     0.02  -0.04   0.03
     6   6     0.00  -0.00  -0.00    -0.09  -0.08   0.11    -0.02  -0.00  -0.00
     7   6    -0.06   0.04  -0.05     0.04  -0.04  -0.01    -0.03   0.02  -0.02
     8   6    -0.00   0.03  -0.00    -0.00   0.06  -0.08     0.02   0.04  -0.02
     9   1    -0.02  -0.13   0.20    -0.10  -0.03  -0.06     0.03  -0.11   0.07
    10   1     0.04  -0.24  -0.28     0.15   0.07   0.12     0.01  -0.03  -0.04
    11   1     0.18   0.37   0.09     0.11  -0.06   0.04    -0.01   0.07   0.01
    12   1     0.08  -0.09  -0.04     0.03  -0.06  -0.00     0.01  -0.04   0.03
    13   1    -0.15   0.08  -0.02    -0.03  -0.02  -0.01    -0.02  -0.04   0.01
    14   1    -0.07   0.01  -0.05    -0.05   0.02  -0.01    -0.12   0.08   0.01
    15   1    -0.02  -0.11   0.05     0.19   0.01   0.08     0.03  -0.07   0.07
    16   6     0.03   0.03   0.01    -0.07   0.02  -0.11     0.04  -0.09  -0.02
    17   6     0.01  -0.05   0.03     0.03  -0.02   0.12    -0.04   0.09   0.04
    18   1     0.00   0.12  -0.34     0.06  -0.02   0.01    -0.06  -0.03  -0.08
    19   1    -0.13   0.16   0.10     0.01  -0.04  -0.07    -0.01  -0.09   0.05
    20   1    -0.05   0.00  -0.12    -0.11   0.19  -0.10    -0.11   0.16  -0.11
    21   1    -0.01  -0.12   0.22     0.04   0.08  -0.38    -0.08   0.17   0.03
    22   1    -0.09   0.01  -0.22     0.08   0.01  -0.09    -0.04  -0.02   0.43
    23   1    -0.06  -0.07  -0.04     0.06  -0.01   0.09    -0.03   0.20  -0.35
    24   1     0.19   0.18   0.05     0.54   0.29   0.10     0.16  -0.14  -0.04
    25   1     0.02   0.11  -0.07    -0.15   0.03  -0.19    -0.34  -0.27  -0.15
    26   1    -0.26  -0.06  -0.16    -0.17  -0.06  -0.23     0.42   0.08   0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.8759              1061.1462              1066.4346
 Red. masses --      1.4686                 2.2427                 1.5612
 Frc consts  --      0.9321                 1.4879                 1.0461
 IR Inten    --      4.0711                 1.1779                 0.4633
 RamAct Fr= 1--      3.6264                 6.1808                 1.0693
  Dep-P Fr= 1--      0.1390                 0.1892                 0.5369
  Dep-U Fr= 1--      0.2441                 0.3182                 0.6986
 Alpha2 Fr= 1--      0.0576                 0.0864                 0.0044
 Beta2  Fr= 1--      0.1475                 0.3278                 0.1245
 AlphaG Fr= 1--      0.0616                 0.0645                -0.0562
 Gamma2 Fr= 1--      0.5988                 0.7638                -1.1678
 Delta2 Fr= 1--      0.2223                -0.1539                 0.1301
 Raman1 Fr= 1--      14.506                 24.723                  4.277
 ROA1   Fr= 1--      64.595                 68.403               -107.947
 CID1   Fr= 1--       4.453                  2.767                -25.238
 Raman2 Fr= 1--       1.770                  3.934                  1.494
 ROA2   Fr= 1--      12.592                 19.562                -29.068
 CID2   Fr= 1--       7.113                  4.973                -19.455
 Raman3 Fr= 1--       3.540                  7.868                  2.988
 ROA3   Fr= 1--      64.595                 68.403               -107.947
 CID3   Fr= 1--      18.245                  8.694                -36.124
 RC180  Fr= 1--      -0.512                 -0.364                  0.397
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.06  -0.00     0.11  -0.05   0.06     0.01  -0.06   0.02
     2   6    -0.01  -0.05   0.02    -0.10   0.01  -0.11    -0.04   0.01   0.00
     3   6    -0.02   0.02  -0.01     0.03  -0.04   0.01     0.06   0.03  -0.12
     4   6    -0.06  -0.10  -0.04    -0.04   0.04  -0.02    -0.05  -0.02   0.14
     5   6     0.09  -0.03  -0.01     0.04  -0.11  -0.03     0.02   0.03   0.01
     6   6    -0.01  -0.00  -0.00    -0.01  -0.01   0.00     0.01   0.01   0.03
     7   6     0.01   0.07   0.01    -0.04   0.15   0.12     0.01   0.01   0.01
     8   6    -0.06  -0.03  -0.01     0.07   0.04  -0.05    -0.00  -0.01  -0.00
     9   1    -0.10   0.20   0.07     0.14  -0.03  -0.02     0.14  -0.04  -0.23
    10   1     0.07  -0.11  -0.08    -0.36   0.11   0.00    -0.08   0.00  -0.04
    11   1     0.01   0.10  -0.00    -0.21  -0.15  -0.10    -0.10   0.03  -0.02
    12   1    -0.29   0.39   0.02    -0.09   0.06   0.06     0.15   0.05  -0.26
    13   1     0.27   0.02   0.02     0.04  -0.05   0.02    -0.42   0.51  -0.09
    14   1     0.37  -0.16   0.09    -0.10   0.09   0.05     0.32  -0.31  -0.23
    15   1     0.37  -0.10   0.14     0.03  -0.14   0.01    -0.07  -0.03   0.12
    16   6     0.01  -0.02  -0.01    -0.03   0.00  -0.01    -0.01  -0.02  -0.02
    17   6    -0.01   0.01   0.01     0.01  -0.04   0.04    -0.01  -0.00  -0.00
    18   1     0.12   0.22   0.01    -0.02   0.20   0.44     0.02   0.02  -0.04
    19   1     0.01   0.22  -0.17    -0.09   0.05   0.12    -0.03   0.08  -0.01
    20   1     0.08  -0.04   0.21     0.10  -0.24  -0.34     0.04  -0.05   0.02
    21   1    -0.01   0.03   0.00     0.02   0.02  -0.13    -0.01   0.07  -0.08
    22   1    -0.00  -0.00   0.07     0.05  -0.00  -0.01     0.02  -0.01   0.10
    23   1    -0.00   0.04  -0.06     0.04  -0.02   0.11     0.01   0.05  -0.05
    24   1     0.05  -0.01  -0.00     0.16   0.14   0.05    -0.01  -0.01  -0.00
    25   1    -0.07  -0.05  -0.03     0.00   0.07  -0.05    -0.02  -0.02  -0.01
    26   1     0.05   0.01  -0.01    -0.18  -0.05  -0.11    -0.01  -0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1086.6866              1111.3851              1129.0156
 Red. masses --      1.4705                 1.4141                 1.4185
 Frc consts  --      1.0231                 1.0291                 1.0653
 IR Inten    --      1.6984                 2.6691                 2.1166
 RamAct Fr= 1--      1.2796                 6.5808                 0.5382
  Dep-P Fr= 1--      0.4768                 0.3536                 0.7023
  Dep-U Fr= 1--      0.6457                 0.5224                 0.8251
 Alpha2 Fr= 1--      0.0070                 0.0571                 0.0004
 Beta2  Fr= 1--      0.1377                 0.5730                 0.0740
 AlphaG Fr= 1--      0.0204                -0.0623                -0.0036
 Gamma2 Fr= 1--     -0.8175                 1.0278                -0.3647
 Delta2 Fr= 1--     -1.0847                 0.8873                 0.2053
 Raman1 Fr= 1--       5.118                 26.323                  2.153
 ROA1   Fr= 1--    -113.185                127.063                -28.444
 CID1   Fr= 1--     -22.114                  4.827                -13.212
 Raman2 Fr= 1--       1.652                  6.876                  0.888
 ROA2   Fr= 1--     -10.941                 17.569                -10.396
 CID2   Fr= 1--      -6.621                  2.555                -11.705
 Raman3 Fr= 1--       3.305                 13.752                  1.776
 ROA3   Fr= 1--    -113.185                127.063                -28.444
 CID3   Fr= 1--     -34.247                  9.239                -16.012
 RC180  Fr= 1--       0.291                  0.045                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.07     0.01  -0.07  -0.02    -0.02  -0.01   0.04
     2   6     0.06  -0.00  -0.05    -0.04   0.02  -0.02     0.03   0.02  -0.03
     3   6     0.03   0.04  -0.02     0.03  -0.05   0.04    -0.03   0.00   0.01
     4   6    -0.04  -0.04   0.00     0.00   0.05  -0.02     0.02   0.00  -0.02
     5   6    -0.05  -0.05  -0.01     0.04   0.11  -0.01     0.03   0.03  -0.08
     6   6    -0.01  -0.02  -0.03     0.03  -0.00   0.03    -0.05   0.07   0.01
     7   6    -0.10  -0.03   0.00     0.00  -0.01   0.01    -0.03  -0.04   0.06
     8   6     0.09   0.04   0.01    -0.04  -0.04  -0.00     0.03  -0.05  -0.01
     9   1    -0.10   0.34   0.01     0.03  -0.08  -0.05     0.04  -0.00  -0.08
    10   1     0.17   0.06   0.16     0.02   0.02   0.03    -0.32   0.11   0.01
    11   1     0.41  -0.20   0.09     0.12  -0.05   0.04     0.21  -0.14   0.05
    12   1    -0.10   0.17  -0.03    -0.01  -0.05   0.06     0.01  -0.04   0.03
    13   1     0.07   0.08  -0.00    -0.01  -0.08   0.01     0.04  -0.07   0.01
    14   1     0.19  -0.10   0.01    -0.16   0.12   0.03    -0.04   0.04   0.02
    15   1    -0.02  -0.08   0.05     0.22   0.03   0.16    -0.17  -0.20   0.39
    16   6    -0.00   0.01   0.02    -0.02  -0.00  -0.02     0.03  -0.04  -0.01
    17   6     0.01   0.02   0.01    -0.02   0.01  -0.01     0.03  -0.04  -0.01
    18   1    -0.28  -0.28  -0.20    -0.14  -0.22  -0.28     0.22   0.28  -0.34
    19   1    -0.20   0.12   0.29    -0.25   0.59   0.04    -0.05   0.08   0.03
    20   1    -0.04  -0.05  -0.31     0.25  -0.40   0.06    -0.16   0.30   0.09
    21   1     0.01  -0.04   0.04     0.01   0.03  -0.08    -0.05   0.08   0.07
    22   1     0.00   0.00  -0.06     0.03  -0.00   0.01    -0.05  -0.01   0.18
    23   1    -0.01  -0.04   0.05     0.02   0.01   0.03    -0.02   0.10  -0.18
    24   1     0.05  -0.01  -0.00    -0.03  -0.05  -0.02    -0.05   0.09   0.03
    25   1    -0.04  -0.03  -0.02    -0.04  -0.05   0.01     0.14   0.12   0.04
    26   1     0.07   0.02  -0.01     0.03   0.01   0.01    -0.16  -0.03  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1152.6812              1193.6617              1213.7031
 Red. masses --      1.5978                 1.6600                 1.7645
 Frc consts  --      1.2508                 1.3935                 1.5314
 IR Inten    --      3.7470                 1.4320                 1.8796
 RamAct Fr= 1--      7.2858                 8.4223                 6.1696
  Dep-P Fr= 1--      0.5770                 0.7249                 0.6510
  Dep-U Fr= 1--      0.7317                 0.8405                 0.7886
 Alpha2 Fr= 1--      0.0237                 0.0036                 0.0110
 Beta2  Fr= 1--      0.8886                 1.1798                 0.8109
 AlphaG Fr= 1--     -0.0065                -0.0204                 0.0013
 Gamma2 Fr= 1--     -1.2786                 1.5744                -0.4416
 Delta2 Fr= 1--      0.3383                 0.5772                 0.0335
 Raman1 Fr= 1--      29.143                 33.689                 24.678
 ROA1   Fr= 1--    -111.922                169.612                -41.321
 CID1   Fr= 1--      -3.840                  5.035                 -1.674
 Raman2 Fr= 1--      10.663                 14.158                  9.731
 ROA2   Fr= 1--     -33.394                 33.167                -10.866
 CID2   Fr= 1--      -3.132                  2.343                 -1.117
 Raman3 Fr= 1--      21.325                 28.316                 19.462
 ROA3   Fr= 1--    -111.922                169.612                -41.321
 CID3   Fr= 1--      -5.248                  5.990                 -2.123
 RC180  Fr= 1--       0.463                  0.681                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.02    -0.02  -0.05   0.02    -0.01   0.00   0.02
     2   6     0.03  -0.00  -0.03    -0.02   0.06   0.01    -0.01  -0.01  -0.01
     3   6    -0.10   0.06  -0.04     0.15  -0.07   0.01    -0.03   0.01   0.01
     4   6     0.06  -0.03   0.02    -0.07   0.03  -0.01     0.01  -0.00  -0.00
     5   6     0.00  -0.01   0.07    -0.01  -0.03   0.07    -0.00   0.05  -0.05
     6   6    -0.08  -0.05  -0.07    -0.03  -0.05  -0.00     0.14  -0.13  -0.07
     7   6    -0.04  -0.01   0.01     0.03  -0.02   0.02    -0.01   0.03   0.02
     8   6    -0.00   0.03  -0.01    -0.06   0.02  -0.05    -0.02   0.01   0.03
     9   1     0.16  -0.31  -0.14    -0.12   0.24   0.03     0.06  -0.08  -0.05
    10   1    -0.29   0.06  -0.04    -0.37   0.11  -0.07    -0.22   0.01  -0.07
    11   1     0.11  -0.09   0.02     0.35  -0.03   0.13     0.16  -0.02   0.04
    12   1     0.17  -0.18  -0.05    -0.16   0.19   0.03     0.03  -0.04   0.01
    13   1    -0.02  -0.02  -0.00    -0.03   0.07  -0.01     0.01  -0.03   0.00
    14   1     0.02  -0.05  -0.05    -0.06   0.05   0.03     0.00   0.00   0.00
    15   1     0.59   0.08  -0.08    -0.13   0.22  -0.42    -0.25  -0.17   0.39
    16   6     0.05   0.03   0.03     0.02   0.02   0.00    -0.07   0.06   0.02
    17   6     0.03   0.04   0.00     0.01   0.02  -0.01    -0.05   0.06   0.04
    18   1     0.11   0.20  -0.01     0.22   0.23  -0.24     0.14   0.24  -0.21
    19   1    -0.05   0.06   0.03     0.08  -0.07  -0.18     0.13  -0.22  -0.06
    20   1     0.10  -0.18  -0.09     0.04  -0.04   0.04    -0.00   0.00   0.05
    21   1    -0.01  -0.10   0.25     0.00  -0.06   0.10     0.09  -0.14  -0.15
    22   1    -0.10   0.01  -0.13    -0.05   0.01  -0.10     0.13   0.01  -0.18
    23   1    -0.07  -0.07  -0.08    -0.04  -0.04  -0.05     0.04  -0.13   0.29
    24   1     0.02  -0.03  -0.01    -0.03  -0.05  -0.02     0.14  -0.13  -0.04
    25   1     0.03  -0.01   0.04     0.03  -0.02   0.05    -0.25  -0.18  -0.10
    26   1     0.15   0.04   0.05     0.10   0.03   0.06     0.21   0.03  -0.06
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1234.4480              1242.7799              1253.3456
 Red. masses --      1.7740                 2.5212                 1.7032
 Frc consts  --      1.5928                 2.2943                 1.5764
 IR Inten    --      3.0845                 1.3219                 4.5013
 RamAct Fr= 1--      3.7837                 1.5245                 6.0426
  Dep-P Fr= 1--      0.7414                 0.3567                 0.1912
  Dep-U Fr= 1--      0.8515                 0.5258                 0.3211
 Alpha2 Fr= 1--      0.0006                 0.0131                 0.0840
 Beta2  Fr= 1--      0.5370                 0.1336                 0.3233
 AlphaG Fr= 1--     -0.0014                -0.0264                 0.0376
 Gamma2 Fr= 1--      0.0607                -1.4545                 1.2043
 Delta2 Fr= 1--      0.6152                -0.3611                -0.9496
 Raman1 Fr= 1--      15.135                  6.098                 24.170
 ROA1   Fr= 1--      25.515               -151.190                 85.224
 CID1   Fr= 1--       1.686                -24.794                  3.526
 Raman2 Fr= 1--       6.444                  1.603                  3.880
 ROA2   Fr= 1--      -3.464                -32.020                 36.499
 CID2   Fr= 1--      -0.538                -19.973                  9.407
 Raman3 Fr= 1--      12.887                  3.206                  7.760
 ROA3   Fr= 1--      25.515               -151.190                 85.224
 CID3   Fr= 1--       1.980                -47.154                 10.982
 RC180  Fr= 1--       0.703                  0.052                 -0.358
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.04     0.05   0.01   0.03     0.00  -0.03   0.01
     2   6    -0.04   0.03  -0.02    -0.05  -0.05  -0.03    -0.04  -0.01  -0.00
     3   6     0.06  -0.03   0.00    -0.10   0.03  -0.01     0.01   0.01  -0.01
     4   6    -0.02   0.02   0.01     0.03  -0.01   0.01     0.01   0.00   0.01
     5   6    -0.05   0.05  -0.01    -0.05  -0.06   0.02    -0.07   0.02   0.06
     6   6    -0.09  -0.13  -0.01     0.13  -0.02   0.25     0.04   0.04  -0.13
     7   6    -0.00   0.02   0.09    -0.02   0.07   0.05     0.06   0.07  -0.03
     8   6     0.06  -0.08  -0.04     0.04  -0.02  -0.08     0.03  -0.13  -0.01
     9   1    -0.05   0.05   0.06     0.04   0.02   0.02     0.01  -0.01  -0.02
    10   1     0.46   0.00   0.18     0.00  -0.05   0.00    -0.23   0.00  -0.09
    11   1    -0.39   0.04  -0.12     0.20  -0.02   0.04     0.28  -0.01   0.09
    12   1    -0.02   0.04  -0.00     0.09  -0.11  -0.01     0.02  -0.01  -0.01
    13   1    -0.05   0.05  -0.01     0.02  -0.06   0.01    -0.01   0.01   0.00
    14   1    -0.03   0.02  -0.00     0.02  -0.02  -0.02    -0.01   0.00  -0.01
    15   1     0.11  -0.05   0.18     0.31   0.13  -0.34     0.23   0.14  -0.16
    16   6     0.04   0.06   0.01    -0.04   0.02  -0.07    -0.03  -0.01   0.03
    17   6     0.03   0.04  -0.01    -0.03   0.00  -0.08    -0.01  -0.02   0.05
    18   1     0.08   0.14  -0.03    -0.01   0.06  -0.38    -0.14  -0.20   0.20
    19   1    -0.09   0.17   0.05    -0.00  -0.01  -0.04    -0.12   0.24   0.04
    20   1    -0.21   0.38   0.06    -0.17   0.35  -0.00    -0.27   0.52   0.24
    21   1     0.03  -0.14   0.17     0.03   0.05  -0.24     0.01  -0.02  -0.03
    22   1    -0.10   0.03  -0.23     0.07   0.00  -0.15     0.08  -0.01   0.09
    23   1    -0.09  -0.14  -0.02     0.01   0.07  -0.06     0.05  -0.01   0.14
    24   1    -0.02  -0.07  -0.02    -0.29  -0.15  -0.07     0.17   0.07   0.03
    25   1     0.07  -0.03   0.09     0.04  -0.09   0.11    -0.08   0.04  -0.10
    26   1     0.15   0.05   0.10    -0.02   0.02   0.14    -0.05  -0.04  -0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1281.4980              1298.6113              1340.7720
 Red. masses --      1.4709                 1.9056                 1.6557
 Frc consts  --      1.4232                 1.8934                 1.7536
 IR Inten    --      0.2336                 2.6780                 1.1064
 RamAct Fr= 1--      0.2761                 8.8711                 6.2251
  Dep-P Fr= 1--      0.5233                 0.4556                 0.7171
  Dep-U Fr= 1--      0.6870                 0.6260                 0.8353
 Alpha2 Fr= 1--      0.0012                 0.0532                 0.0035
 Beta2  Fr= 1--      0.0316                 0.9256                 0.8666
 AlphaG Fr= 1--     -0.0021                 0.0196                -0.0012
 Gamma2 Fr= 1--      0.2509                 1.4020                -0.2962
 Delta2 Fr= 1--      0.1529                 0.2686                -1.0949
 Raman1 Fr= 1--       1.104                 35.484                 24.900
 ROA1   Fr= 1--      28.976                143.190                -63.475
 CID1   Fr= 1--      26.235                  4.035                 -2.549
 Raman2 Fr= 1--       0.379                 11.107                 10.399
 ROA2   Fr= 1--       4.798                 31.500                  1.649
 CID2   Fr= 1--      12.647                  2.836                  0.159
 Raman3 Fr= 1--       0.759                 22.214                 20.798
 ROA3   Fr= 1--      28.976                143.190                -63.475
 CID3   Fr= 1--      38.187                  6.446                 -3.052
 RC180  Fr= 1--       0.374                  0.252                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06   0.00    -0.00  -0.02   0.02     0.00  -0.04  -0.02
     2   6     0.05  -0.01   0.01    -0.01  -0.00   0.03     0.12   0.04   0.06
     3   6     0.03   0.03   0.03     0.01  -0.01   0.00     0.01  -0.07  -0.03
     4   6    -0.02  -0.02  -0.02    -0.00   0.01  -0.00     0.01   0.02   0.01
     5   6     0.05  -0.01   0.04     0.01   0.03  -0.07    -0.07   0.02  -0.02
     6   6     0.04  -0.03   0.03    -0.09  -0.10   0.12     0.08   0.03   0.02
     7   6    -0.09  -0.04  -0.06     0.05   0.07  -0.16    -0.09  -0.06  -0.06
     8   6     0.05  -0.06  -0.02     0.02  -0.01   0.04     0.04  -0.00   0.02
     9   1     0.17  -0.39  -0.13    -0.02   0.07  -0.01    -0.26   0.44   0.13
    10   1    -0.01   0.01   0.01    -0.33   0.01  -0.13    -0.32   0.09  -0.07
    11   1    -0.08   0.02  -0.03     0.37   0.05   0.13    -0.35   0.09  -0.08
    12   1    -0.06   0.06   0.01    -0.01  -0.00   0.01    -0.00   0.02   0.01
    13   1     0.07   0.01   0.00    -0.02  -0.01  -0.00    -0.10  -0.00  -0.01
    14   1     0.05  -0.00   0.05    -0.01   0.01   0.00    -0.08   0.02  -0.05
    15   1    -0.42   0.14  -0.26    -0.06  -0.16   0.30     0.43  -0.03   0.11
    16   6    -0.01   0.00  -0.01     0.03   0.03  -0.03    -0.02  -0.01   0.01
    17   6    -0.02   0.02  -0.01     0.03   0.04  -0.04    -0.02   0.00  -0.00
    18   1     0.14   0.30   0.27    -0.15  -0.17   0.56     0.14   0.28   0.18
    19   1    -0.24   0.43   0.15     0.02   0.02   0.04    -0.09   0.07   0.14
    20   1    -0.04   0.05  -0.04    -0.05   0.06   0.00    -0.01   0.00  -0.05
    21   1     0.01   0.00  -0.05     0.01  -0.03   0.06     0.02   0.04  -0.11
    22   1     0.03  -0.00  -0.03    -0.11   0.02  -0.11     0.06  -0.02  -0.03
    23   1     0.01   0.01   0.00    -0.08  -0.07  -0.11     0.02   0.06   0.00
    24   1    -0.02  -0.06  -0.02    -0.15  -0.09  -0.03    -0.02  -0.03  -0.01
    25   1    -0.04  -0.06   0.01     0.06  -0.09   0.11    -0.03  -0.01  -0.02
    26   1     0.05   0.02   0.01     0.02   0.05   0.14     0.00  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1361.5675              1372.1529              1402.8340
 Red. masses --      1.8975                 1.6416                 1.2610
 Frc consts  --      2.0726                 1.8211                 1.4621
 IR Inten    --      2.8217                 1.3475                 9.2935
 RamAct Fr= 1--     10.5104                 2.1530                 0.1634
  Dep-P Fr= 1--      0.2508                 0.7255                 0.4636
  Dep-U Fr= 1--      0.4011                 0.8409                 0.6335
 Alpha2 Fr= 1--      0.1243                 0.0009                 0.0009
 Beta2  Fr= 1--      0.7026                 0.3017                 0.0173
 AlphaG Fr= 1--      0.0784                -0.0037                -0.0040
 Gamma2 Fr= 1--      1.9480                -0.7941                 0.1117
 Delta2 Fr= 1--      1.0905                -0.5789                -0.0153
 Raman1 Fr= 1--      42.042                  8.612                  0.654
 ROA1   Fr= 1--     221.907                -94.758                 10.231
 CID1   Fr= 1--       5.278                -11.003                 15.651
 Raman2 Fr= 1--       8.431                  3.621                  0.207
 ROA2   Fr= 1--      38.028                -14.428                  2.803
 CID2   Fr= 1--       4.511                 -3.985                 13.537
 Raman3 Fr= 1--      16.862                  7.242                  0.414
 ROA3   Fr= 1--     221.907                -94.758                 10.231
 CID3   Fr= 1--      13.160                -13.085                 24.705
 RC180  Fr= 1--      -0.198                  0.682                  0.267
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.02    -0.08   0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.07   0.02  -0.01     0.14  -0.06   0.02    -0.00   0.01   0.00
     3   6     0.16   0.03   0.08     0.09   0.02   0.04     0.00  -0.00   0.00
     4   6    -0.04  -0.01  -0.02    -0.01  -0.03  -0.02    -0.01   0.01   0.00
     5   6    -0.15  -0.01  -0.07    -0.03  -0.01  -0.02    -0.01  -0.00  -0.01
     6   6     0.04   0.05   0.02    -0.02  -0.02   0.02     0.02   0.00   0.03
     7   6    -0.00  -0.05  -0.03     0.01   0.09   0.05    -0.01  -0.01  -0.01
     8   6     0.01   0.04   0.04    -0.00  -0.00  -0.01     0.00   0.00   0.01
     9   1     0.21  -0.48  -0.16     0.07  -0.26  -0.10    -0.01   0.02   0.00
    10   1     0.23  -0.03   0.04    -0.44  -0.01  -0.16     0.01  -0.01  -0.02
    11   1     0.23  -0.05   0.08    -0.43   0.01  -0.16     0.02  -0.01   0.01
    12   1    -0.10   0.10   0.01    -0.09   0.13   0.02     0.02  -0.04  -0.01
    13   1     0.08   0.11  -0.02     0.01   0.11  -0.04     0.03  -0.03   0.02
    14   1     0.02   0.05   0.13    -0.04   0.05   0.10     0.04  -0.02  -0.02
    15   1     0.49  -0.12   0.16     0.05  -0.03   0.02     0.04  -0.01   0.00
    16   6    -0.01  -0.02   0.01     0.00   0.01  -0.02    -0.01   0.02  -0.11
    17   6     0.00  -0.02  -0.01     0.01   0.00  -0.01    -0.08  -0.03  -0.03
    18   1     0.16   0.17   0.13    -0.32  -0.37  -0.32     0.03   0.04   0.03
    19   1     0.09  -0.22   0.02     0.07  -0.03  -0.09     0.03   0.02  -0.02
    20   1    -0.00  -0.03  -0.05    -0.06   0.05  -0.05    -0.04  -0.00  -0.07
    21   1     0.01   0.04  -0.08    -0.01  -0.03   0.05    -0.15  -0.14   0.36
    22   1     0.04  -0.01  -0.01    -0.02   0.02   0.03     0.00   0.07   0.42
    23   1     0.01   0.07  -0.04     0.01  -0.05   0.04     0.18  -0.20   0.37
    24   1    -0.04   0.03   0.01    -0.02  -0.01  -0.01     0.30   0.17  -0.04
    25   1     0.02   0.04  -0.02     0.02  -0.03   0.03     0.22   0.21   0.21
    26   1    -0.03  -0.01  -0.00    -0.03   0.01   0.04     0.35  -0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1413.4226              1421.7239              1477.6208
 Red. masses --      1.2997                 1.2194                 1.0453
 Frc consts  --      1.5298                 1.4522                 1.3447
 IR Inten    --      2.8448                 6.8577                 7.7361
 RamAct Fr= 1--      8.8975                 0.2279                 6.9611
  Dep-P Fr= 1--      0.3736                 0.1203                 0.7190
  Dep-U Fr= 1--      0.5439                 0.2147                 0.8365
 Alpha2 Fr= 1--      0.0723                 0.0038                 0.0037
 Beta2  Fr= 1--      0.8066                 0.0082                 0.9705
 AlphaG Fr= 1--     -0.0105                -0.0043                -0.0389
 Gamma2 Fr= 1--      0.3155                 0.0112                 0.1894
 Delta2 Fr= 1--      0.2286                 0.0059                 0.1383
 Raman1 Fr= 1--      35.590                  0.911                 27.844
 ROA1   Fr= 1--      37.603                  1.266                 22.609
 CID1   Fr= 1--       1.057                  1.389                  0.812
 Raman2 Fr= 1--       9.679                  0.098                 11.646
 ROA2   Fr= 1--       5.742                  0.221                  3.440
 CID2   Fr= 1--       0.593                  2.262                  0.295
 Raman3 Fr= 1--      19.359                  0.196                 23.292
 ROA3   Fr= 1--      37.603                  1.266                 22.609
 CID3   Fr= 1--       1.942                  6.468                  0.971
 RC180  Fr= 1--       0.088                 -0.571                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.02  -0.00   0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
     3   6     0.04  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.12   0.10   0.00     0.00  -0.00  -0.00     0.02   0.02  -0.05
     5   6    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.01
     6   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.01   0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00   0.00
     9   1    -0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.00   0.00   0.01
    10   1    -0.06   0.01  -0.02    -0.04   0.00   0.00     0.01  -0.01  -0.02
    11   1    -0.06   0.01  -0.02    -0.00   0.02  -0.01    -0.01  -0.02   0.00
    12   1     0.21  -0.45  -0.12    -0.01  -0.00   0.01    -0.22  -0.30   0.61
    13   1     0.36  -0.40   0.22    -0.01  -0.00  -0.00    -0.46  -0.02  -0.14
    14   1     0.53  -0.21  -0.18     0.00   0.00   0.01     0.44   0.02   0.25
    15   1     0.01  -0.00   0.01    -0.04  -0.01   0.02     0.00   0.01  -0.01
    16   6    -0.00  -0.00   0.01     0.00  -0.02   0.09    -0.00   0.00  -0.00
    17   6     0.01   0.00   0.00    -0.09  -0.04  -0.03     0.00   0.00   0.00
    18   1    -0.02  -0.03  -0.02    -0.04  -0.05  -0.00     0.00   0.00   0.00
    19   1     0.01   0.00  -0.01     0.05   0.04  -0.06     0.00  -0.00  -0.00
    20   1    -0.01   0.00  -0.01    -0.05  -0.00  -0.07    -0.00   0.00  -0.00
    21   1     0.01   0.00  -0.03     0.12   0.11  -0.29    -0.00  -0.01   0.01
    22   1     0.01  -0.01  -0.04     0.03  -0.07  -0.35     0.01   0.00   0.01
    23   1    -0.02   0.03  -0.04    -0.13   0.20  -0.30     0.00   0.01  -0.00
    24   1    -0.02  -0.01   0.00     0.36   0.20  -0.04    -0.01   0.00   0.00
    25   1    -0.02  -0.02  -0.01     0.26   0.29   0.22    -0.01  -0.00  -0.01
    26   1    -0.03   0.00  -0.01     0.43  -0.02   0.12    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.4212              1483.9079              1488.2273
 Red. masses --      1.0845                 1.0540                 1.0597
 Frc consts  --      1.3985                 1.3674                 1.3828
 IR Inten    --      3.6327                 3.4684                 4.3720
 RamAct Fr= 1--     25.7931                 1.2675                13.1711
  Dep-P Fr= 1--      0.5629                 0.5936                 0.4835
  Dep-U Fr= 1--      0.7203                 0.7449                 0.6518
 Alpha2 Fr= 1--      0.0915                 0.0037                 0.0701
 Beta2  Fr= 1--      3.0964                 0.1574                 1.4309
 AlphaG Fr= 1--      0.0600                -0.0064                -0.0539
 Gamma2 Fr= 1--     -6.5960                 1.2329                 3.9186
 Delta2 Fr= 1--     -5.0773                 0.3810                 2.7272
 Raman1 Fr= 1--     103.172                  5.070                 52.685
 ROA1   Fr= 1--    -795.690                130.548                463.454
 CID1   Fr= 1--      -7.712                 25.748                  8.797
 Raman2 Fr= 1--      37.157                  1.888                 17.170
 ROA2   Fr= 1--    -117.686                 26.541                 72.228
 CID2   Fr= 1--      -3.167                 14.054                  4.207
 Raman3 Fr= 1--      74.315                  3.777                 34.341
 ROA3   Fr= 1--    -795.690                130.548                463.454
 CID3   Fr= 1--     -10.707                 34.564                 13.496
 RC180  Fr= 1--       0.441                  0.490                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00  -0.01  -0.00     0.01  -0.03  -0.01
     2   6     0.00  -0.07  -0.03    -0.01   0.00  -0.00     0.00   0.01   0.01
     3   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02  -0.02
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.02    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.02    -0.00  -0.01   0.02     0.00  -0.00  -0.01
     9   1     0.02  -0.04  -0.01    -0.01   0.01   0.00    -0.05   0.08   0.02
    10   1    -0.14   0.25   0.55     0.01   0.01   0.03    -0.01  -0.01  -0.05
    11   1     0.10   0.61  -0.11     0.01   0.02  -0.00    -0.03  -0.04   0.01
    12   1    -0.02  -0.00   0.03     0.01  -0.01  -0.01     0.19  -0.36  -0.13
    13   1    -0.03  -0.02  -0.00     0.01   0.03  -0.00     0.31   0.53  -0.05
    14   1     0.02  -0.01  -0.01    -0.01   0.01   0.02     0.06   0.25   0.54
    15   1     0.01  -0.00   0.01    -0.01   0.00   0.01    -0.03   0.01  -0.01
    16   6     0.01  -0.01  -0.01    -0.03  -0.03  -0.01     0.01  -0.01  -0.00
    17   6    -0.01   0.00   0.01     0.01   0.02  -0.03    -0.01   0.01   0.01
    18   1    -0.00  -0.02  -0.01     0.01  -0.00   0.01     0.01   0.01   0.01
    19   1    -0.07  -0.09   0.10     0.09   0.08  -0.12    -0.02  -0.01   0.02
    20   1     0.08  -0.00   0.12    -0.09  -0.01  -0.14     0.02   0.00   0.03
    21   1    -0.11   0.20   0.07    -0.18   0.03   0.30    -0.04   0.11  -0.00
    22   1    -0.13  -0.01  -0.09     0.34  -0.06  -0.23    -0.09  -0.00  -0.04
    23   1     0.11   0.04   0.12     0.28   0.46   0.06     0.03  -0.01   0.04
    24   1     0.02  -0.13  -0.03     0.24  -0.01  -0.06     0.03  -0.14  -0.03
    25   1     0.05   0.08   0.04     0.01  -0.35   0.25     0.05   0.05   0.05
    26   1     0.04  -0.02  -0.16    -0.27   0.04   0.20     0.02  -0.01  -0.14
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.6754              1500.4946              1514.7652
 Red. masses --      1.0496                 1.0785                 1.0686
 Frc consts  --      1.3798                 1.4307                 1.4446
 IR Inten    --      6.3682                 0.4811                 8.2523
 RamAct Fr= 1--      3.3506                 7.7285                 4.8581
  Dep-P Fr= 1--      0.6732                 0.6798                 0.7374
  Dep-U Fr= 1--      0.8047                 0.8094                 0.8488
 Alpha2 Fr= 1--      0.0046                 0.0096                 0.0010
 Beta2  Fr= 1--      0.4494                 1.0426                 0.6873
 AlphaG Fr= 1--     -0.0130                 0.0076                -0.0009
 Gamma2 Fr= 1--      0.5540                -0.8249                 0.0880
 Delta2 Fr= 1--      0.4610                 0.3142                -0.4001
 Raman1 Fr= 1--      13.402                 30.914                 19.432
 ROA1   Fr= 1--      67.939                -69.139                 -4.349
 CID1   Fr= 1--       5.069                 -2.236                 -0.224
 Raman2 Fr= 1--       5.392                 12.511                  8.247
 ROA2   Fr= 1--       9.609                -22.311                  5.314
 CID2   Fr= 1--       1.782                 -1.783                  0.644
 Raman3 Fr= 1--      10.785                 25.021                 16.495
 ROA3   Fr= 1--      67.939                -69.139                 -4.349
 CID3   Fr= 1--       6.300                 -2.763                 -0.264
 RC180  Fr= 1--       0.609                  0.619                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
     2   6     0.00  -0.02  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.01  -0.01
     6   6     0.01  -0.00  -0.01    -0.03  -0.03   0.02    -0.01   0.02  -0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.02  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.01     0.00   0.01  -0.04     0.00   0.02  -0.05
     9   1    -0.01   0.02   0.01     0.00  -0.01  -0.00     0.01  -0.01  -0.00
    10   1    -0.06   0.11   0.22     0.00  -0.04  -0.10    -0.01   0.01   0.01
    11   1     0.03   0.25  -0.05    -0.03  -0.10   0.01    -0.00   0.02  -0.01
    12   1     0.05  -0.10  -0.04    -0.00   0.02  -0.01     0.00  -0.01  -0.00
    13   1     0.08   0.15  -0.02     0.00  -0.01   0.00     0.01   0.02  -0.00
    14   1     0.01   0.07   0.15    -0.01  -0.00  -0.01     0.00   0.01   0.02
    15   1    -0.01   0.01   0.00    -0.02  -0.02   0.01     0.01  -0.01  -0.01
    16   6    -0.02   0.02   0.00    -0.03  -0.01  -0.01    -0.01   0.02   0.01
    17   6     0.02  -0.03  -0.02     0.00  -0.02   0.02    -0.02   0.02  -0.02
    18   1     0.01   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.01   0.00
    19   1     0.01   0.04  -0.02    -0.19  -0.17   0.24    -0.25  -0.24   0.32
    20   1    -0.02  -0.01  -0.03     0.18   0.02   0.29     0.24   0.01   0.37
    21   1     0.11  -0.28  -0.03    -0.09  -0.14   0.25     0.16  -0.29  -0.10
    22   1     0.21   0.01   0.11     0.39  -0.04  -0.14     0.15   0.02   0.17
    23   1    -0.10  -0.02  -0.11     0.17   0.36  -0.03    -0.18  -0.09  -0.16
    24   1    -0.17   0.50   0.12    -0.24   0.02   0.05     0.34  -0.08  -0.09
    25   1    -0.19  -0.08  -0.26     0.00   0.31  -0.23     0.10  -0.24   0.32
    26   1     0.04   0.04   0.46     0.27  -0.03  -0.15    -0.21   0.02   0.07
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1518.9781              1722.3592              3000.3474
 Red. masses --      1.0613                 6.5420                 1.0596
 Frc consts  --      1.4428                11.4342                 5.6199
 IR Inten    --      4.6538                 1.7235                45.9987
 RamAct Fr= 1--      4.4866                47.4742               198.0043
  Dep-P Fr= 1--      0.6285                 0.1272                 0.1532
  Dep-U Fr= 1--      0.7719                 0.2258                 0.2657
 Alpha2 Fr= 1--      0.0099                 0.7771                 3.0363
 Beta2  Fr= 1--      0.5772                 1.7863                 8.7673
 AlphaG Fr= 1--     -0.0121                 0.0715                 0.1884
 Gamma2 Fr= 1--     -0.7911                -0.6351                -3.1139
 Delta2 Fr= 1--      0.1370                -0.5646                -1.1825
 Raman1 Fr= 1--      17.946                189.897                792.017
 ROA1   Fr= 1--     -71.565                -79.034               -336.780
 CID1   Fr= 1--      -3.988                 -0.416                 -0.425
 Raman2 Fr= 1--       6.926                 21.435                105.208
 ROA2   Fr= 1--     -20.084                -10.725                -65.274
 CID2   Fr= 1--      -2.900                 -0.500                 -0.620
 Raman3 Fr= 1--      13.853                 42.871                210.416
 ROA3   Fr= 1--     -71.565                -79.034               -336.780
 CID3   Fr= 1--      -5.166                 -1.844                 -1.601
 RC180  Fr= 1--       0.544                 -0.548                 -0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.05  -0.43  -0.19     0.00  -0.00   0.00
     2   6     0.00   0.01   0.01    -0.00   0.04   0.02     0.01  -0.06  -0.04
     3   6     0.00   0.00   0.00    -0.01   0.47   0.22     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.03  -0.05  -0.02     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.05  -0.02     0.00  -0.00  -0.00
     6   6     0.02  -0.02  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.01  -0.00
     8   6     0.00   0.01  -0.04     0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.36   0.23  -0.02    -0.03  -0.01  -0.02
    10   1     0.02  -0.06  -0.13    -0.17   0.10   0.07     0.14   0.54  -0.27
    11   1    -0.03  -0.14   0.02    -0.13   0.15  -0.04    -0.21   0.12   0.73
    12   1    -0.01   0.01   0.01    -0.09   0.17   0.05    -0.00  -0.00  -0.00
    13   1    -0.01  -0.02   0.00     0.05  -0.21   0.04    -0.00   0.00   0.00
    14   1     0.01  -0.01  -0.02     0.11  -0.13  -0.13     0.00   0.00  -0.00
    15   1    -0.01  -0.00   0.00    -0.27  -0.01  -0.11    -0.00   0.01   0.00
    16   6     0.02  -0.03   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.01  -0.02    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.01   0.01  -0.01     0.03   0.04   0.03     0.09  -0.07   0.00
    19   1    -0.17  -0.15   0.22    -0.02  -0.04   0.03     0.00  -0.00   0.00
    20   1     0.15   0.02   0.25     0.03  -0.00   0.03    -0.00  -0.00   0.00
    21   1    -0.16   0.46  -0.00     0.02  -0.01  -0.03    -0.02  -0.01  -0.01
    22   1    -0.37  -0.02  -0.19    -0.00   0.00  -0.00     0.00   0.02  -0.00
    23   1     0.14  -0.03   0.21    -0.02  -0.01  -0.02     0.02  -0.01  -0.01
    24   1     0.04   0.34   0.05     0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1    -0.10  -0.15  -0.06     0.01   0.01   0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.37     0.00  -0.00  -0.01    -0.00   0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6110              3017.9762              3021.8101
 Red. masses --      1.0378                 1.1009                 1.0401
 Frc consts  --      5.5349                 5.9080                 5.5957
 IR Inten    --     31.9145                24.2602                17.0159
 RamAct Fr= 1--    238.3099               132.4173                17.1446
  Dep-P Fr= 1--      0.0411                 0.6805                 0.4148
  Dep-U Fr= 1--      0.0790                 0.8099                 0.5863
 Alpha2 Fr= 1--      4.8075                 0.1623                 0.1204
 Beta2  Fr= 1--      3.1387                17.8734                 1.6754
 AlphaG Fr= 1--     -0.1038                 0.4735                -0.0013
 Gamma2 Fr= 1--     -1.1806                 9.3523                -1.1595
 Delta2 Fr= 1--      2.0613                -1.6037                 0.8421
 Raman1 Fr= 1--     953.240                529.669                 68.578
 ROA1   Fr= 1--     -47.374                846.500                -84.368
 CID1   Fr= 1--      -0.050                  1.598                 -1.230
 Raman2 Fr= 1--      37.664                214.481                 20.105
 ROA2   Fr= 1--     -44.824                237.284                -34.566
 CID2   Fr= 1--      -1.190                  1.106                 -1.719
 Raman3 Fr= 1--      75.328                428.963                 40.210
 ROA3   Fr= 1--     -47.374                846.500                -84.368
 CID3   Fr= 1--      -0.629                  1.973                 -2.098
 RC180  Fr= 1--      -0.842                  0.620                  0.173
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.03  -0.05   0.07    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.16   0.69  -0.30     0.00   0.01  -0.00
    11   1     0.00  -0.00  -0.00     0.17  -0.12  -0.59     0.01  -0.01  -0.04
    12   1    -0.30  -0.14  -0.18     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.15   0.12   0.60     0.00  -0.00  -0.00    -0.00   0.00   0.01
    14   1     0.19   0.57  -0.30     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00  -0.04  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.02   0.03
    17   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.01
    18   1    -0.00   0.00   0.00     0.02  -0.01  -0.00    -0.01   0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.01
    20   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.02   0.01   0.01    -0.21  -0.08  -0.08
    22   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.53  -0.05
    23   1    -0.00   0.00   0.00    -0.03   0.02   0.02     0.40  -0.22  -0.26
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.05  -0.21
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.31   0.16   0.22
    26   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00  -0.40   0.05
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.4016              3047.1656              3053.5525
 Red. masses --      1.0401                 1.0989                 1.0846
 Frc consts  --      5.6204                 6.0119                 5.9583
 IR Inten    --     61.0392                20.3318                62.6711
 RamAct Fr= 1--    300.2016                92.7298               176.9235
  Dep-P Fr= 1--      0.0322                 0.7435                 0.2852
  Dep-U Fr= 1--      0.0624                 0.8529                 0.4439
 Alpha2 Fr= 1--      6.1852                 0.0102                 1.8957
 Beta2  Fr= 1--      3.1240                13.1813                13.0879
 AlphaG Fr= 1--      0.1326                -0.1714                 0.4489
 Gamma2 Fr= 1--      3.9945                -2.2594                10.1149
 Delta2 Fr= 1--      0.9974                -2.6050                 5.6112
 Raman1 Fr= 1--    1200.806                370.919                707.694
 ROA1   Fr= 1--     415.388               -300.259               1150.589
 CID1   Fr= 1--       0.346                 -0.810                  1.626
 Raman2 Fr= 1--      37.488                158.175                157.055
 ROA2   Fr= 1--      87.889                -33.384                197.868
 CID2   Fr= 1--       2.344                 -0.211                  1.260
 Raman3 Fr= 1--      74.975                316.351                314.111
 ROA3   Fr= 1--     415.388               -300.259               1150.589
 CID3   Fr= 1--       5.540                 -0.949                  3.663
 RC180  Fr= 1--      -0.875                  0.706                 -0.112
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.03   0.04  -0.08    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.07   0.05  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.01
     9   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.01
    10   1     0.00   0.02  -0.01     0.00   0.00  -0.00    -0.02  -0.08   0.04
    11   1     0.01  -0.01  -0.03     0.00  -0.00  -0.00     0.02  -0.01  -0.08
    12   1    -0.00  -0.00  -0.00    -0.01   0.00  -0.03     0.00   0.00   0.00
    13   1    -0.00   0.00   0.01    -0.16   0.17   0.68    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.19  -0.60   0.29     0.00   0.01  -0.00
    15   1    -0.00  -0.05  -0.02     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    16   6    -0.01  -0.02   0.03     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.04  -0.02   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.07   0.05  -0.00     0.00  -0.00   0.00     0.78  -0.56   0.02
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00    -0.11  -0.03  -0.09
    20   1     0.02   0.02  -0.01     0.00   0.00  -0.00     0.11   0.08  -0.06
    21   1    -0.16  -0.06  -0.07     0.01   0.00   0.00    -0.02  -0.01  -0.01
    22   1     0.02   0.41  -0.04     0.00   0.01  -0.00     0.00   0.03  -0.00
    23   1     0.31  -0.17  -0.20    -0.02   0.01   0.01     0.03  -0.02  -0.02
    24   1     0.03  -0.06   0.28    -0.00   0.00  -0.00     0.01  -0.01   0.03
    25   1     0.40  -0.21  -0.28    -0.00   0.00   0.00     0.00   0.00  -0.00
    26   1    -0.00   0.50  -0.06    -0.00  -0.00   0.00     0.00   0.06  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3064.3729              3069.4316              3074.6471
 Red. masses --      1.0818                 1.1008                 1.0691
 Frc consts  --      5.9850                 6.1105                 5.9546
 IR Inten    --     46.0989                 1.7060                32.9305
 RamAct Fr= 1--     77.4333                25.1216               248.3519
  Dep-P Fr= 1--      0.5582                 0.7497                 0.0177
  Dep-U Fr= 1--      0.7165                 0.8570                 0.0349
 Alpha2 Fr= 1--      0.2824                 0.0001                 5.2944
 Beta2  Fr= 1--      9.2465                 3.5881                 1.4435
 AlphaG Fr= 1--      0.0637                 0.0027                -1.2634
 Gamma2 Fr= 1--    -18.6526                 9.7278                -6.3787
 Delta2 Fr= 1--    -11.5828                 5.4140                 0.0799
 Raman1 Fr= 1--     309.733                100.487                993.408
 ROA1   Fr= 1--   -2161.298               1107.116               -609.794
 CID1   Fr= 1--      -6.978                 11.018                 -0.614
 Raman2 Fr= 1--     110.958                 43.057                 17.323
 ROA2   Fr= 1--    -355.000                190.155               -153.727
 CID2   Fr= 1--      -3.199                  4.416                 -8.874
 Raman3 Fr= 1--     221.916                 86.115                 34.645
 ROA3   Fr= 1--   -2161.298               1107.116               -609.794
 CID3   Fr= 1--      -9.739                 12.856                -17.601
 RC180  Fr= 1--       0.433                  0.714                 -0.930
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.07  -0.04    -0.00   0.00   0.00    -0.00   0.03   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   6    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.02  -0.03   0.05
     9   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.02
    12   1    -0.05  -0.02  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
    13   1    -0.01   0.00   0.02     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    14   1     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.00  -0.00   0.00
    15   1    -0.01   0.81   0.41     0.00  -0.05  -0.03     0.00  -0.33  -0.16
    16   6     0.00  -0.00   0.00     0.03  -0.07  -0.02     0.00  -0.00  -0.00
    17   6    -0.00   0.01  -0.00    -0.02   0.04   0.01     0.01  -0.00  -0.01
    18   1    -0.05   0.04  -0.00     0.03  -0.02   0.00    -0.15   0.11  -0.00
    19   1    -0.17  -0.05  -0.14     0.02   0.01   0.01    -0.31  -0.09  -0.27
    20   1     0.23   0.16  -0.13    -0.02  -0.02   0.01     0.58   0.41  -0.33
    21   1    -0.01  -0.01  -0.01     0.02  -0.02  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.04  -0.00     0.04   0.61  -0.07     0.00   0.03  -0.00
    23   1    -0.01   0.00   0.00    -0.47   0.24   0.32    -0.06   0.03   0.04
    24   1     0.01  -0.01   0.04    -0.01   0.01  -0.01     0.02  -0.02   0.09
    25   1     0.04  -0.02  -0.03     0.25  -0.12  -0.17    -0.11   0.05   0.07
    26   1     0.00  -0.06   0.01    -0.00  -0.33   0.05     0.00  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3077.0610              3098.7079              3109.9307
 Red. masses --      1.0999                 1.0989                 1.0998
 Frc consts  --      6.1357                 6.2171                 6.2672
 IR Inten    --     59.0396                24.4589                29.4901
 RamAct Fr= 1--    148.3290                88.3254                27.4993
  Dep-P Fr= 1--      0.7261                 0.6863                 0.6569
  Dep-U Fr= 1--      0.8413                 0.8140                 0.7929
 Alpha2 Fr= 1--      0.0608                 0.0988                 0.0458
 Beta2  Fr= 1--     20.7991                11.9827                 3.6341
 AlphaG Fr= 1--      0.0434                 0.1025                -0.0217
 Gamma2 Fr= 1--     -1.9703                 0.5029                -0.4260
 Delta2 Fr= 1--      0.5203                 0.9576                -1.3840
 Raman1 Fr= 1--     593.316                353.302                109.997
 ROA1   Fr= 1--    -172.494                 78.926                -85.182
 CID1   Fr= 1--      -0.291                  0.223                 -0.774
 Raman2 Fr= 1--     249.589                143.792                 43.609
 ROA2   Fr= 1--     -51.449                  4.410                  0.848
 CID2   Fr= 1--      -0.206                  0.031                  0.019
 Raman3 Fr= 1--     499.178                287.585                 87.218
 ROA3   Fr= 1--    -172.494                 78.926                -85.182
 CID3   Fr= 1--      -0.346                  0.274                 -0.977
 RC180  Fr= 1--       0.683                  0.628                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00    -0.06  -0.05  -0.05     0.00   0.00   0.00
     5   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.01     0.00   0.00   0.00     0.04   0.02   0.01
     9   1     0.00   0.00   0.00    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.02  -0.01  -0.01     0.75   0.32   0.43    -0.01  -0.00  -0.00
    13   1     0.00  -0.00  -0.01    -0.08   0.05   0.25     0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.00     0.06   0.21  -0.13    -0.00  -0.00   0.00
    15   1    -0.00   0.09   0.05     0.00   0.04   0.02    -0.00  -0.01  -0.01
    16   6     0.02  -0.04  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00     0.00   0.03  -0.08
    18   1    -0.01   0.01  -0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    19   1     0.03   0.01   0.03    -0.01  -0.00  -0.01    -0.21  -0.06  -0.20
    20   1    -0.07  -0.05   0.04    -0.00  -0.00   0.00    -0.22  -0.16   0.13
    21   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.03   0.01   0.01
    22   1     0.02   0.33  -0.04     0.00   0.01  -0.00     0.00  -0.00   0.00
    23   1    -0.25   0.13   0.17    -0.01   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.02   0.00     0.00  -0.00   0.01     0.12  -0.17   0.82
    25   1    -0.46   0.22   0.32    -0.01   0.00   0.00    -0.17   0.09   0.10
    26   1     0.01   0.62  -0.08     0.00   0.00  -0.00     0.00  -0.23   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.0291              3132.1987              3149.9978
 Red. masses --      1.0947                 1.1010                 1.0905
 Frc consts  --      6.3106                 6.3642                 6.3750
 IR Inten    --     13.1850                47.5982                24.9582
 RamAct Fr= 1--     51.0682               112.8807               166.5143
  Dep-P Fr= 1--      0.5094                 0.5080                 0.2549
  Dep-U Fr= 1--      0.6750                 0.6738                 0.4062
 Alpha2 Fr= 1--      0.2412                 0.5367                 1.9466
 Beta2  Fr= 1--      5.7450                12.6757                11.2741
 AlphaG Fr= 1--      0.4039                 0.0268                -0.0852
 Gamma2 Fr= 1--      4.6767                -1.6459                 1.2313
 Delta2 Fr= 1--     -0.4513                 1.8114                 1.3372
 Raman1 Fr= 1--     204.273                451.523                666.057
 ROA1   Fr= 1--     434.526               -100.037                160.998
 CID1   Fr= 1--       2.127                 -0.222                  0.242
 Raman2 Fr= 1--      68.940                152.108                135.290
 ROA2   Fr= 1--     115.852                -53.992                 18.855
 CID2   Fr= 1--       1.680                 -0.355                  0.139
 Raman3 Fr= 1--     137.880                304.217                270.579
 ROA3   Fr= 1--     434.526               -100.037                160.998
 CID3   Fr= 1--       3.151                 -0.329                  0.595
 RC180  Fr= 1--       0.350                  0.348                 -0.188
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.03  -0.04
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.00   0.00    -0.07  -0.03  -0.03     0.00   0.00   0.00
     9   1     0.01   0.00   0.00     0.02   0.01   0.01     0.83   0.31   0.45
    10   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.02  -0.01
    11   1    -0.00   0.00   0.01     0.00   0.00   0.00    -0.01   0.01   0.02
    12   1     0.00   0.00   0.00     0.01   0.00   0.00     0.03   0.01   0.02
    13   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00   0.05   0.02    -0.00  -0.01  -0.01
    16   6    -0.08  -0.03  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00  -0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.01   0.00  -0.00
    19   1    -0.06  -0.02  -0.05     0.59   0.17   0.53    -0.01  -0.00  -0.01
    20   1    -0.01  -0.01   0.01     0.29   0.21  -0.18    -0.00  -0.00   0.00
    21   1     0.82   0.30   0.37     0.08   0.03   0.04    -0.01  -0.00  -0.00
    22   1    -0.01   0.20  -0.03    -0.00   0.02  -0.00    -0.00  -0.00   0.00
    23   1     0.14  -0.09  -0.11     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01   0.01  -0.06     0.06  -0.08   0.37    -0.00   0.00  -0.00
    25   1     0.01  -0.01  -0.00    -0.06   0.03   0.04    -0.00   0.00   0.00
    26   1     0.00   0.02   0.00     0.00  -0.08   0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   927.017381463.814421595.54340
           X            0.99999  -0.00503   0.00113
           Y            0.00502   0.99996   0.00796
           Z           -0.00117  -0.00796   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09343     0.05917     0.05428
 Rotational constants (GHZ):           1.94683     1.23290     1.13111
 Zero-point vibrational energy     617927.4 (Joules/Mol)
                                  147.68819 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    178.96   261.98   280.58   293.83   323.92
          (Kelvin)            380.22   441.87   484.58   562.48   571.34
                              619.28   672.20   704.53   832.13   905.18
                              974.91  1128.17  1165.03  1193.72  1227.77
                             1295.78  1327.34  1355.44  1374.39  1403.39
                             1404.93  1472.23  1493.27  1526.75  1534.36
                             1563.50  1599.04  1624.40  1658.45  1717.41
                             1746.25  1776.10  1788.08  1803.28  1843.79
                             1868.41  1929.07  1958.99  1974.22  2018.37
                             2033.60  2045.54  2125.97  2128.56  2135.01
                             2141.23  2149.07  2158.88  2179.41  2185.47
                             2478.09  4316.83  4328.72  4342.19  4347.71
                             4357.19  4384.19  4393.38  4408.95  4416.23
                             4423.73  4427.20  4458.35  4474.50  4500.54
                             4506.54  4532.14
 
 Zero-point correction=                           0.235356 (Hartree/Particle)
 Thermal correction to Energy=                    0.245170
 Thermal correction to Enthalpy=                  0.246114
 Thermal correction to Gibbs Free Energy=         0.201678
 Sum of electronic and zero-point Energies=           -390.613306
 Sum of electronic and thermal Energies=              -390.603492
 Sum of electronic and thermal Enthalpies=            -390.602548
 Sum of electronic and thermal Free Energies=         -390.646984
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.846             40.194             93.523
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.161
 Vibrational            152.069             34.232             23.725
 Vibration     1          0.610              1.929              3.031
 Vibration     2          0.630              1.864              2.307
 Vibration     3          0.636              1.847              2.180
 Vibration     4          0.640              1.834              2.095
 Vibration     5          0.650              1.803              1.917
 Vibration     6          0.671              1.738              1.633
 Vibration     7          0.697              1.660              1.378
 Vibration     8          0.718              1.602              1.227
 Vibration     9          0.759              1.490              0.997
 Vibration    10          0.764              1.476              0.973
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.824              1.323              0.745
 Vibration    13          0.846              1.273              0.684
 Vibration    14          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.171709D-92        -92.765208       -213.599785
 Total V=0       0.309734D+16         15.490989         35.669321
 Vib (Bot)       0.522208-106       -106.282156       -244.723709
 Vib (Bot)    1  0.164124D+01          0.215173          0.495455
 Vib (Bot)    2  0.110226D+01          0.042285          0.097365
 Vib (Bot)    3  0.102439D+01          0.010466          0.024099
 Vib (Bot)    4  0.974768D+00         -0.011099         -0.025556
 Vib (Bot)    5  0.876683D+00         -0.057158         -0.131610
 Vib (Bot)    6  0.733426D+00         -0.134644         -0.310028
 Vib (Bot)    7  0.616729D+00         -0.209906         -0.483325
 Vib (Bot)    8  0.552439D+00         -0.257716         -0.593413
 Vib (Bot)    9  0.458916D+00         -0.338267         -0.778889
 Vib (Bot)   10  0.449793D+00         -0.346987         -0.798967
 Vib (Bot)   11  0.404674D+00         -0.392894         -0.904673
 Vib (Bot)   12  0.361879D+00         -0.441436         -1.016445
 Vib (Bot)   13  0.338699D+00         -0.470186         -1.082644
 Vib (Bot)   14  0.263907D+00         -0.578549         -1.332159
 Vib (V=0)       0.941978D+02          1.974041          4.545396
 Vib (V=0)    1  0.221572D+01          0.345514          0.795576
 Vib (V=0)    2  0.171036D+01          0.233089          0.536707
 Vib (V=0)    3  0.163990D+01          0.214818          0.494637
 Vib (V=0)    4  0.159552D+01          0.202903          0.467202
 Vib (V=0)    5  0.150924D+01          0.178759          0.411609
 Vib (V=0)    6  0.138765D+01          0.142278          0.327608
 Vib (V=0)    7  0.129395D+01          0.111917          0.257699
 Vib (V=0)    8  0.124511D+01          0.095208          0.219224
 Vib (V=0)    9  0.117868D+01          0.071395          0.164393
 Vib (V=0)   10  0.117254D+01          0.069129          0.159175
 Vib (V=0)   11  0.114324D+01          0.058138          0.133869
 Vib (V=0)   12  0.111722D+01          0.048137          0.110841
 Vib (V=0)   13  0.110392D+01          0.042937          0.098866
 Vib (V=0)   14  0.106537D+01          0.027502          0.063325
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.526729D+06          5.721587         13.174441
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000020756    0.000016571   -0.000003148
      2        6           0.000002715   -0.000033736    0.000014781
      3        6          -0.000039220    0.000021345   -0.000006710
      4        6          -0.000000937    0.000001069   -0.000000928
      5        6           0.000081735    0.000008569    0.000036076
      6        6          -0.000020464    0.000016095   -0.000040666
      7        6          -0.000007164    0.000024953    0.000020334
      8        6          -0.000000954   -0.000032311   -0.000023921
      9        1          -0.000002528   -0.000001739   -0.000001447
     10        1           0.000002334   -0.000001214   -0.000000994
     11        1           0.000007878    0.000003379    0.000000668
     12        1           0.000002619   -0.000003657   -0.000003788
     13        1           0.000000185   -0.000001572   -0.000002097
     14        1          -0.000000453   -0.000003442   -0.000001043
     15        1          -0.000002661   -0.000000993    0.000001116
     16        6          -0.000008622    0.000000885   -0.000002009
     17        6           0.000009320    0.000005739   -0.000004485
     18        1           0.000000273    0.000000900    0.000004453
     19        1          -0.000007618   -0.000004873   -0.000015285
     20        1           0.000000492    0.000003088   -0.000002365
     21        1           0.000003390   -0.000026953    0.000019612
     22        1           0.000000131    0.000001526   -0.000002214
     23        1          -0.000000722    0.000000653    0.000005664
     24        1           0.000003820    0.000004735    0.000002413
     25        1          -0.000001258    0.000002318   -0.000001236
     26        1          -0.000001535   -0.000001338    0.000007220
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000081735 RMS     0.000015694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.124693D+03 -0.174779D+00  0.345810D+00
      2  -0.174779D+00  0.121527D+03  0.463368D+01
      3   0.345810D+00  0.463368D+01  0.109103D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.142447D+00  0.285883D+01  0.460322D+01
      2   0.396837D+01  0.153266D+02 -0.360181D+01
      3   0.744539D+01 -0.223484D+02 -0.144312D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.117814D+02 -0.366678D+02  0.207192D+01
      2   0.537022D+01  0.183758D+02  0.746134D+01
      3  -0.171516D+02  0.182919D+02 -0.953327D+01
      4  -0.368929D+02  0.341154D+02  0.266058D+02
      5   0.145857D+02  0.239560D+02 -0.198940D+02
      6   0.989690D+01  0.182903D+02  0.876247D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.345749D+01  0.969981D-01 -0.180720D+01  0.200706D+01 -0.479348D+00
      2   0.969981D-01 -0.721580D+00 -0.265526D+01 -0.479348D+00  0.160299D+02
      3  -0.180720D+01 -0.265526D+01 -0.207435D+01 -0.220454D+01  0.309005D+01
                 6             7             8             9            10 
      1  -0.220454D+01 -0.139323D+01 -0.302080D+01 -0.183736D+01  0.950022D+00
      2   0.309005D+01 -0.302080D+01  0.239269D+01  0.360866D+01  0.836172D+00
      3   0.328807D+01 -0.183736D+01  0.360866D+01  0.549424D+01  0.546650D+00
                11            12            13            14            15 
      1   0.836172D+00  0.546650D+00  0.174622D+01  0.925499D-02  0.218170D+01
      2   0.676403D+00  0.346300D+01  0.925499D-02 -0.117058D+02  0.626715D+00
      3   0.346300D+01  0.300052D+01  0.218170D+01  0.626715D+00 -0.152812D+01
                16            17            18            19            20 
      1   0.114891D+01  0.311227D+01  0.294946D+01  0.241023D+01 -0.254975D+01
      2   0.311227D+01  0.254912D+01 -0.397229D+01 -0.254975D+01  0.120982D+01
      3   0.294946D+01 -0.397229D+01 -0.600298D+01 -0.326862D+00  0.115542D+01
                21            22            23            24            25 
      1  -0.326862D+00 -0.243633D+01  0.101980D+01  0.141147D+01 -0.102011D+01
      2   0.115542D+01  0.101980D+01 -0.160086D+02 -0.419053D+01  0.548328D+00
      3   0.735088D+00  0.141147D+01 -0.419053D+01 -0.428150D+01  0.157986D+01
                26            27            28            29            30 
      1   0.548328D+00  0.157986D+01 -0.453857D+01 -0.721438D+00 -0.123862D+01
      2  -0.453711D+01 -0.387556D+01 -0.721438D+00 -0.373799D+00 -0.286532D+01
      3  -0.387556D+01 -0.447080D+01 -0.123862D+01 -0.286532D+01 -0.269894D+01
                31            32            33            34            35 
      1  -0.266236D+01 -0.205217D+01 -0.270789D+01 -0.146319D+01 -0.275064D+01
      2  -0.205217D+01  0.980080D+01 -0.400605D+00 -0.275064D+01 -0.901452D+00
      3  -0.270789D+01 -0.400605D+00  0.190463D+01 -0.432579D+01  0.396153D+01
                36            37            38            39            40 
      1  -0.432579D+01  0.467803D+01  0.186935D+01 -0.280201D+01 -0.214458D+01
      2   0.396153D+01  0.186935D+01  0.110104D+01 -0.961957D+00  0.933909D-01
      3   0.491565D+01 -0.280201D+01 -0.961957D+00  0.366695D+01 -0.196332D+01
                41            42            43            44            45 
      1   0.933909D-01 -0.196332D+01 -0.600930D+01 -0.123030D+01  0.258753D+01
      2   0.431373D+01  0.411946D+01 -0.123030D+01  0.359653D+01  0.324568D+00
      3   0.411946D+01 -0.159406D+01  0.258753D+01  0.324568D+00  0.381868D+00
                46            47            48            49            50 
      1  -0.403225D+01  0.153804D+01  0.526244D+01  0.369294D+01 -0.175146D+01
      2   0.153804D+01 -0.144917D+01  0.645567D+00 -0.175146D+01 -0.828653D+01
      3   0.526244D+01  0.645567D+00 -0.200253D+01  0.100696D+01  0.178391D+01
                51            52            53            54            55 
      1   0.100696D+01  0.785591D+01  0.112618D+01 -0.165661D+01  0.288780D+01
      2   0.178391D+01  0.112618D+01  0.257586D+01  0.155889D+01 -0.416879D+01
      3   0.109048D+01 -0.165661D+01  0.155889D+01 -0.251661D+01 -0.157404D+01
                56            57            58            59            60 
      1  -0.416879D+01 -0.157404D+01 -0.388201D+01  0.492024D+01 -0.177987D+01
      2   0.466565D+01 -0.154308D+01  0.492024D+01  0.361445D+01 -0.263363D+01
      3  -0.154308D+01 -0.159214D+01 -0.177987D+01 -0.263363D+01  0.301198D+01
                61            62            63            64            65 
      1  -0.170878D+01 -0.189828D+01 -0.180287D+01  0.185955D+00 -0.902765D+00
      2  -0.189828D+01 -0.324656D+01  0.173463D+01 -0.902765D+00 -0.249100D+01
      3  -0.180287D+01  0.173463D+01  0.353868D+01  0.365841D+01  0.405471D+01
                66            67            68            69            70 
      1   0.365841D+01  0.613701D+00 -0.195142D+01  0.467262D+01  0.306246D+01
      2   0.405471D+01 -0.195142D+01  0.121282D+01 -0.114386D+01  0.302278D+01
      3   0.850977D+00  0.467262D+01 -0.114386D+01 -0.761188D+00  0.123148D+01
                71            72            73            74            75 
      1   0.302278D+01  0.123148D+01  0.797599D+01  0.266459D+01  0.337341D+01
      2  -0.834663D+00 -0.141240D+01  0.266459D+01  0.120420D+01  0.130402D+01
      3  -0.141240D+01 -0.682720D+00  0.337341D+01  0.130402D+01  0.231480D+01
                76            77            78            79            80 
      1   0.200208D+01  0.145590D+01  0.992524D+00  0.346868D+01  0.168100D+01
      2   0.145590D+01  0.207860D+01  0.150443D+01  0.168100D+01  0.192406D+01
      3   0.992524D+00  0.150443D+01  0.133468D+01  0.231646D+01  0.851495D+00
                81            82            83            84            85 
      1   0.231646D+01  0.935082D+00  0.148609D+01 -0.406569D+00  0.133914D+01
      2   0.851495D+00  0.148609D+01  0.221837D+01 -0.322171D+00  0.126322D+01
      3   0.140968D+01 -0.406569D+00 -0.322171D+00 -0.132590D+00 -0.309139D+00
                86            87            88            89            90 
      1   0.126322D+01 -0.309139D+00 -0.802432D+00 -0.738356D+00 -0.117336D+00
      2   0.137754D+02 -0.102271D+01 -0.738356D+00 -0.379661D+01  0.225958D+01
      3  -0.102271D+01  0.103164D+01 -0.117336D+00  0.225958D+01 -0.102588D+00
                91            92            93            94            95 
      1  -0.124889D+01  0.708173D+00  0.144902D+01  0.137044D+00 -0.710505D+00
      2   0.708173D+00 -0.775434D+00 -0.123224D+01 -0.710505D+00  0.363217D+01
      3   0.144902D+01 -0.123224D+01 -0.189228D+01 -0.559088D+00  0.217204D+01
                96            97            98            99           100 
      1  -0.559088D+00  0.156631D+01 -0.138550D+01 -0.177095D+01  0.894329D+01
      2   0.217204D+01 -0.138550D+01  0.347688D+01  0.440067D+01  0.165013D-01
      3   0.179966D+01 -0.177095D+01  0.440067D+01  0.853699D+01  0.219789D+01
               101           102           103           104           105 
      1   0.165013D-01  0.219789D+01  0.295953D+01  0.656876D+00  0.660484D+00
      2   0.735396D+00  0.107868D+00  0.656876D+00  0.386517D+00  0.516859D+00
      3   0.107868D+00  0.161512D+01  0.660484D+00  0.516859D+00  0.466392D+00
               106           107           108           109           110 
      1   0.369749D+01 -0.133390D+00  0.227172D+01  0.235635D+01 -0.922419D+00
      2  -0.133390D+00  0.789116D+00 -0.208926D+00 -0.922419D+00  0.363951D+00
      3   0.227172D+01 -0.208926D+00  0.115819D+01 -0.170378D+01  0.101848D+01
               111           112           113           114           115 
      1  -0.170378D+01 -0.729070D+00  0.164150D+01  0.110695D+01 -0.348701D+01
      2   0.101848D+01  0.164150D+01 -0.319778D+01 -0.160849D+01  0.276868D+01
      3   0.178287D+01  0.110695D+01 -0.160849D+01 -0.169725D+01  0.351983D+01
               116           117           118           119           120 
      1   0.276868D+01  0.351983D+01 -0.455191D+00 -0.506033D+00  0.557133D+00
      2  -0.309890D+01 -0.352886D+01 -0.506033D+00 -0.200314D+01  0.464550D+00
      3  -0.352886D+01 -0.748831D+01  0.557133D+00  0.464550D+00 -0.142238D+00
               121           122           123           124           125 
      1  -0.178498D+01  0.167634D+01  0.339930D+00  0.974372D+00 -0.130085D+00
      2   0.167634D+01 -0.103712D+02  0.184798D+01 -0.130085D+00  0.319215D+01
      3   0.339930D+00  0.184798D+01 -0.152890D+01  0.664809D+00 -0.240169D+01
               126           127           128           129           130 
      1   0.664809D+00  0.418903D+00 -0.119292D+01 -0.175857D+00 -0.162461D+01
      2  -0.240169D+01 -0.119292D+01 -0.311375D+00  0.123284D+00  0.780796D+00
      3   0.649832D+00 -0.175857D+00  0.123284D+00 -0.175671D+00  0.406385D+00
               131           132           133           134           135 
      1   0.780796D+00  0.406385D+00 -0.541110D-01  0.501266D+00  0.109488D+00
      2  -0.792756D+01 -0.337727D+01  0.501266D+00 -0.282084D+01 -0.224562D+01
      3  -0.337727D+01 -0.220887D+01  0.109488D+00 -0.224562D+01 -0.233397D+01
               136           137           138           139           140 
      1  -0.483694D+00 -0.249608D+01 -0.467438D+01 -0.338218D+01  0.987035D+00
      2  -0.249608D+01  0.636264D+00  0.240343D+00  0.987035D+00  0.681512D+01
      3  -0.467438D+01  0.240343D+00  0.146269D+01  0.402122D+00 -0.266701D+01
               141           142           143           144           145 
      1   0.402122D+00 -0.475233D+01  0.127802D+00  0.154467D+01  0.152229D+01
      2  -0.266701D+01  0.127802D+00 -0.143517D+01 -0.197309D+01 -0.304961D+01
      3  -0.204531D+01  0.154467D+01 -0.197309D+01  0.209779D+01 -0.412791D+01
               146           147           148           149           150 
      1  -0.304961D+01 -0.412791D+01 -0.456382D+01  0.159221D+01 -0.244469D+00
      2   0.898715D-01 -0.267033D+00  0.159221D+01  0.753454D+01 -0.107102D+01
      3  -0.267033D+00  0.147489D+01 -0.244469D+00 -0.107102D+01 -0.199705D+01
               151           152           153           154           155 
      1  -0.508641D+01 -0.170904D+00  0.226379D+01 -0.707320D+01  0.452969D+01
      2  -0.170904D+00 -0.136832D+01 -0.162367D+01  0.452969D+01 -0.414767D+01
      3   0.226379D+01 -0.162367D+01  0.462482D+01  0.612749D-01  0.286574D+00
               156           157           158           159           160 
      1   0.612749D-01  0.343192D+01 -0.366101D+01  0.392264D+00  0.250942D+00
      2   0.286574D+00 -0.366101D+01  0.451257D+01  0.618087D-01  0.290290D+00
      3  -0.695157D+00  0.392264D+00  0.618087D-01  0.430205D+00 -0.982679D+00
               161           162           163           164           165 
      1   0.290290D+00 -0.982679D+00 -0.402488D+01 -0.346348D+00 -0.329558D+01
      2   0.246338D+00  0.961540D+00 -0.346348D+00 -0.563284D+00 -0.241047D+00
      3   0.961540D+00 -0.239965D+00 -0.329558D+01 -0.241047D+00 -0.405766D+01
               166           167           168           169           170 
      1  -0.835944D+00 -0.696932D+00 -0.700186D+00 -0.261939D+01 -0.253325D+00
      2  -0.696932D+00 -0.489551D+00 -0.757994D+00 -0.253325D+00 -0.510426D+00
      3  -0.700186D+00 -0.757994D+00 -0.670096D+00 -0.342261D+01 -0.781053D-01
               171           172           173           174           175 
      1  -0.342261D+01  0.327327D+01  0.164678D+01 -0.279945D+01  0.123373D+01
      2  -0.781053D-01  0.164678D+01  0.192894D+01 -0.209370D+01  0.147797D+01
      3  -0.644168D+01 -0.279945D+01 -0.209370D+01  0.338792D+01 -0.162356D+01
               176           177           178           179           180 
      1   0.147797D+01 -0.162356D+01 -0.145490D+01 -0.992247D+00  0.165154D+01
      2   0.247675D+01 -0.202967D+01 -0.992247D+00 -0.116485D+01  0.182627D+01
      3  -0.202967D+01  0.254607D+01  0.165154D+01  0.182627D+01 -0.422750D+01
               181           182           183           184           185 
      1   0.468342D+01  0.103492D+01  0.160049D+01  0.160373D+01  0.697540D+00
      2   0.103492D+01  0.918341D+00 -0.201119D+00  0.697540D+00 -0.403215D-01
      3   0.160049D+01 -0.201119D+00  0.280139D+01 -0.299148D-01  0.540594D+00
               186           187           188           189           190 
      1  -0.299148D-01  0.180988D+01  0.961024D-01  0.164704D+01 -0.416445D+00
      2   0.540594D+00  0.961024D-01  0.548138D+00  0.585119D+00 -0.876023D+00
      3   0.130120D+01  0.164704D+01  0.585119D+00  0.220485D+01  0.955952D+00
               191           192           193           194           195 
      1  -0.876023D+00  0.955952D+00 -0.107025D+01 -0.108699D+01  0.395893D+00
      2  -0.390485D+00  0.122958D+00 -0.108699D+01 -0.863087D+01  0.335048D+01
      3   0.122958D+00 -0.477495D+00  0.395893D+00  0.335048D+01 -0.265258D+01
               196           197           198           199           200 
      1   0.447399D+00  0.817894D-01 -0.364833D+00 -0.486233D+01  0.918529D+00
      2   0.817894D-01  0.108593D+01 -0.129294D+01  0.918529D+00 -0.113058D+01
      3  -0.364833D+00 -0.129294D+01  0.100716D+01  0.373393D+01 -0.385208D+00
               201           202           203           204           205 
      1   0.373393D+01  0.199938D+01 -0.112305D+01 -0.126420D+01  0.253399D+01
      2  -0.385208D+00 -0.112305D+01  0.255318D+00  0.122044D+01 -0.415460D+00
      3  -0.401269D+01 -0.126420D+01  0.122044D+01  0.204743D+01 -0.280062D+01
               206           207           208           209           210 
      1  -0.415460D+00 -0.280062D+01 -0.116234D+01  0.519723D+00 -0.121680D+01
      2   0.756157D+00  0.732992D+00  0.519723D+00 -0.559862D-01 -0.343143D-03
      3   0.732992D+00  0.407261D+01 -0.121680D+01 -0.343143D-03 -0.155697D+01
               211           212           213           214           215 
      1   0.116714D+01 -0.323951D+00  0.135858D+00 -0.234109D+01 -0.481628D+00
      2  -0.323951D+00 -0.323943D+00 -0.799002D+00 -0.481628D+00 -0.107281D+01
      3   0.135858D+00 -0.799002D+00  0.775589D+00 -0.246405D+01  0.297805D+00
               216           217           218           219           220 
      1  -0.246405D+01 -0.857076D+01  0.788758D+00  0.233010D+01  0.346559D+01
      2   0.297805D+00  0.788758D+00 -0.972039D+00 -0.269069D+00 -0.136873D+01
      3  -0.686639D+01  0.233010D+01 -0.269069D+00 -0.151600D+01 -0.611337D+00
               221           222           223           224           225 
      1  -0.136873D+01 -0.611337D+00  0.446640D+01 -0.478276D-01 -0.216427D+01
      2   0.131168D+00  0.597831D+00 -0.478276D-01  0.894367D+00  0.439550D+00
      3   0.597831D+00  0.904219D+00 -0.216427D+01  0.439550D+00  0.141131D+01
               226           227           228           229           230 
      1  -0.894561D+00 -0.922144D+00  0.422347D+00 -0.228310D+01 -0.306649D+01
      2  -0.922144D+00 -0.362720D+00  0.507874D-01 -0.306649D+01 -0.958768D+01
      3   0.422347D+00  0.507874D-01 -0.665169D-01 -0.107665D+00  0.269181D+00
               231           232           233           234 
      1  -0.107665D+00  0.909525D+00  0.292252D+00 -0.627689D+00
      2   0.269181D+00  0.292252D+00  0.760386D+00 -0.930126D+00
      3  -0.967313D+00 -0.627689D+00 -0.930126D+00 -0.130164D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.153073D+01  0.167781D+01  0.316716D+00  0.305879D+01  0.917540D+01
      2   0.196532D+01 -0.186640D+01 -0.199409D+01  0.684650D-02  0.875400D+01
      3  -0.234036D+01 -0.536384D+01  0.131194D+01  0.131396D+01 -0.426801D+02
                 6             7             8             9            10 
      1  -0.223976D+01  0.910593D+00  0.483188D+01 -0.134292D+00 -0.115896D+01
      2   0.112961D+02 -0.916641D+01  0.138508D+02  0.152170D+02 -0.901978D+00
      3  -0.120996D+02  0.117106D+01 -0.102038D+02 -0.136517D+02  0.369724D+01
                11            12            13            14            15 
      1  -0.776363D+01 -0.431436D+01 -0.452215D+01 -0.170007D+02  0.840569D+00
      2   0.257825D+01  0.283517D+01 -0.771581D-01 -0.396028D+01 -0.227508D+01
      3  -0.469371D+01 -0.280084D+01  0.526775D+01  0.799243D+01  0.621954D+01
                16            17            18            19            20 
      1  -0.573859D+01  0.180045D+02  0.144417D+02 -0.143830D+01 -0.181276D+01
      2  -0.900089D+00 -0.275960D+01 -0.540284D+01 -0.588800D+00  0.561273D+01
      3  -0.643556D+00  0.955792D+01  0.112119D+02  0.943105D+01 -0.659966D+01
                21            22            23            24            25 
      1   0.101544D+00 -0.247855D+01 -0.115424D+02 -0.183239D+01 -0.254561D+01
      2   0.173809D+01  0.445604D+01 -0.104755D+02 -0.122637D+02 -0.499934D+01
      3  -0.462176D+01  0.364766D+01  0.419900D+02  0.133002D+02 -0.297438D+01
                26            27            28            29            30 
      1   0.445143D+01  0.275026D+01 -0.162486D+01 -0.580728D+01 -0.495402D+01
      2  -0.101141D+02 -0.165155D+02 -0.549307D+01 -0.943883D+01 -0.616452D+01
      3   0.137222D+02  0.107688D+02  0.114944D+02 -0.214848D+01  0.107867D+02
                31            32            33            34            35 
      1  -0.332798D+01 -0.632098D+01  0.230257D+01 -0.984462D+01  0.137923D+02
      2  -0.858485D+01 -0.301918D+01  0.453283D+01 -0.164592D+02  0.139267D+02
      3   0.126681D+02 -0.299895D+02  0.594347D+01  0.107221D+02  0.106986D+02
                36            37            38            39            40 
      1   0.973759D+01 -0.113736D+01  0.319770D+00  0.518532D+01 -0.441744D+01
      2   0.153135D+02  0.828941D+01  0.326827D+01  0.337385D+01 -0.315486D+01
      3  -0.439880D+01 -0.138536D+02 -0.843173D+01 -0.684527D+00  0.840361D+01
                41            42            43            44            45 
      1   0.119665D+01 -0.117255D+02  0.804043D+01  0.449113D+00  0.451404D+01
      2   0.293924D+01 -0.508517D+01 -0.993846D+01 -0.425112D+01  0.440648D+01
      3   0.214572D+01  0.264199D+01  0.526742D+01 -0.489843D+00 -0.659793D+01
                46            47            48            49            50 
      1   0.481506D+01 -0.494395D+00 -0.244250D+01 -0.121640D+01 -0.213154D+01
      2  -0.131831D+02 -0.280239D+01  0.693027D+01  0.100391D+01 -0.191660D+01
      3   0.121243D+02 -0.576433D+01 -0.215280D+01 -0.284033D+01 -0.166556D+02
                51            52            53            54            55 
      1  -0.191794D+01 -0.276784D+01  0.749244D+01 -0.279048D+01  0.295073D+01
      2  -0.962982D+00 -0.567993D+00 -0.334377D+01  0.681366D+01  0.267906D+01
      3   0.278170D+01 -0.761896D+01  0.257504D+01  0.531511D+01 -0.364178D+01
                56            57            58            59            60 
      1   0.257497D+01  0.660181D+01  0.335119D+01  0.432221D+01 -0.704978D+01
      2   0.199524D+01  0.445067D+01  0.158704D+01  0.279825D+01 -0.370210D+01
      3  -0.619812D+01 -0.382174D+01  0.327223D+01  0.131066D+02 -0.568316D+01
                61            62            63            64            65 
      1   0.446377D+01  0.213757D+00 -0.945190D+01 -0.236110D+01  0.311720D+01
      2  -0.229407D+01 -0.276692D+01 -0.528278D+01 -0.142584D+01 -0.459370D+01
      3  -0.520837D+01 -0.689464D+01 -0.139220D+01  0.197127D+01 -0.463826D+01
                66            67            68            69            70 
      1  -0.132152D+02  0.615303D+01 -0.201916D+01  0.719904D+01 -0.107129D+02
      2   0.106577D+02 -0.106192D+01 -0.453355D+01  0.146146D+02  0.280644D+01
      3   0.660310D+01 -0.152527D+01 -0.200996D+01 -0.939938D+00  0.479372D+01
                71            72            73            74            75 
      1   0.837361D+01  0.274898D+01 -0.204505D+01  0.243925D+00 -0.294286D+01
      2   0.917527D+01  0.473913D+01 -0.556046D+00  0.110976D+01  0.581571D+01
      3   0.625703D+00  0.109840D+01  0.538492D+01 -0.177219D+01  0.161895D+01
                76            77            78            79            80 
      1  -0.287639D+00 -0.679742D+00 -0.118848D+01 -0.190751D+01  0.268501D+01
      2  -0.693909D-01  0.290105D+01  0.285805D+01  0.506791D+00 -0.166879D+01
      3   0.113545D+01 -0.217147D+01 -0.150975D+01  0.142285D+01 -0.389059D+01
                81            82            83            84            85 
      1  -0.126640D+01  0.185024D+01  0.286037D+01 -0.108823D-02  0.708774D+00
      2   0.114753D+01 -0.772340D+00 -0.452931D+00  0.148253D+01 -0.102504D+01
      3   0.152636D+01  0.223620D+01  0.136847D+01 -0.793092D+00  0.683600D+01
                86            87            88            89            90 
      1   0.130890D+02 -0.635426D+01  0.500037D+00 -0.773876D+01  0.273870D+01
      2   0.934563D+00  0.749135D+00 -0.586529D+00  0.925671D+00  0.306643D+00
      3  -0.487290D+01 -0.438765D+00 -0.280656D+01 -0.269825D+00 -0.184467D+01
                91            92            93            94            95 
      1  -0.320138D+01  0.182084D+01  0.418142D+01  0.384624D+00 -0.881190D+00
      2   0.230213D+01 -0.120623D+01 -0.105609D+01 -0.809267D+00  0.231697D+01
      3  -0.446338D+01  0.444572D+00  0.424254D+01  0.207054D+01 -0.393593D+01
                96            97            98            99           100 
      1  -0.283698D+01  0.348568D+01 -0.447392D+01 -0.181787D+02  0.385279D+01
      2   0.873786D+00 -0.559151D+01  0.283325D+01  0.449904D+01  0.780851D+01
      3  -0.278025D+01  0.737890D+01 -0.600269D+01 -0.725342D+01 -0.133157D+02
               101           102           103           104           105 
      1   0.950611D+00  0.262853D+01  0.825572D+00  0.137892D+01 -0.191586D+00
      2   0.355026D+00  0.791315D+01  0.198440D+01  0.166043D+01  0.211403D+01
      3  -0.523988D+01 -0.405044D+01 -0.379942D+01 -0.308765D+01 -0.260781D+01
               106           107           108           109           110 
      1   0.304196D+01  0.605453D+00  0.143670D+01 -0.256539D+01  0.156979D+01
      2   0.536972D+01  0.187702D-01  0.471519D+01 -0.350531D+01  0.263515D+01
      3  -0.524887D+01 -0.365371D+01 -0.241807D+01 -0.733022D+00 -0.186135D+01
               111           112           113           114           115 
      1   0.330468D+01  0.182887D+01 -0.883419D+00 -0.356274D+01  0.566987D+01
      2   0.550164D+01  0.281714D+01 -0.414421D+01 -0.489603D+01  0.636465D+01
      3  -0.124029D+01 -0.229666D+01  0.764390D+01  0.301309D+01 -0.181747D+01
               116           117           118           119           120 
      1  -0.379236D+01 -0.126850D+02  0.601433D+00  0.203215D+01 -0.432709D+00
      2  -0.890090D+01 -0.215721D+02  0.157159D+01  0.229884D+01  0.376792D+00
      3   0.537975D+01  0.511659D+01  0.285303D+01  0.593007D+01 -0.262051D+01
               121           122           123           124           125 
      1  -0.353640D+00  0.585039D+01 -0.568946D+01  0.121791D+01 -0.449984D+01
      2   0.142743D+01  0.519519D+01 -0.454639D+01  0.381613D+00 -0.611469D+01
      3   0.663123D+00  0.293533D+02 -0.641056D+01 -0.221624D+01 -0.101796D+02
               126           127           128           129           130 
      1   0.210745D+01  0.134891D+01 -0.336751D+00 -0.190169D+00 -0.629383D+00
      2   0.222004D+01  0.945068D+00 -0.126249D+01  0.921616D+00 -0.285349D+01
      3   0.605048D+01 -0.575991D+00  0.131511D+00  0.208433D-01  0.574296D+01
               131           132           133           134           135 
      1   0.604492D+01 -0.233603D+01 -0.187556D+00  0.296694D+01 -0.909538D+00
      2   0.780707D+00  0.167571D+00 -0.232131D+01  0.618464D-02 -0.560726D+00
      3   0.432563D+00 -0.377075D-02  0.905819D+00  0.459287D+00  0.220361D+00
               136           137           138           139           140 
      1  -0.119438D+02  0.898968D+00  0.217739D+01  0.326080D+01  0.142291D+02
      2   0.106791D+02  0.503054D+01  0.123775D+02  0.677754D+01  0.128931D+01
      3  -0.370787D+01  0.445204D+00  0.526975D+01  0.685181D+01  0.913900D+01
               141           142           143           144           145 
      1  -0.127020D+02  0.109610D+01 -0.385686D+01 -0.318108D+01 -0.308550D+01
      2   0.162912D+01  0.686646D+01  0.329217D+01 -0.473974D+01  0.129339D+02
      3  -0.425737D+01  0.440940D+01 -0.242208D+01 -0.391282D+01 -0.140622D+02
               146           147           148           149           150 
      1  -0.209058D-01  0.274708D+01 -0.939912D+00 -0.405472D+01 -0.400108D+01
      2  -0.111696D+01 -0.559650D+01 -0.255343D+01  0.316426D+01  0.556613D+01
      3   0.325740D+01  0.425574D+01  0.133674D+02  0.231517D+02 -0.261010D+01
               151           152           153           154           155 
      1   0.464018D+01  0.779497D+00  0.813270D+01 -0.131175D+01  0.644834D+00
      2  -0.153376D+02  0.393642D+01 -0.167323D+02 -0.132810D+01  0.859255D+00
      3   0.518636D+01 -0.308246D+01 -0.811917D+01 -0.780814D+01 -0.133427D+01
               156           157           158           159           160 
      1   0.278683D+01  0.498345D+00 -0.162759D+01 -0.324234D+01  0.161914D+01
      2   0.368734D+01  0.426881D+00 -0.108323D+01 -0.213334D+01  0.156013D+00
      3   0.195009D+00  0.410188D+01  0.719783D+00  0.601036D+00  0.413743D+00
               161           162           163           164           165 
      1  -0.507491D+00  0.390471D+00  0.372623D+01  0.397664D+01  0.426941D+01
      2  -0.101429D+01  0.133085D+00 -0.103550D+02 -0.157889D+01 -0.386278D+01
      3   0.122789D+01 -0.417372D+00 -0.332682D+01 -0.285937D+01 -0.245742D+01
               166           167           168           169           170 
      1   0.209008D+01  0.209980D+01  0.556615D+00  0.363881D+01  0.333827D+01
      2  -0.236958D+01 -0.106583D+01 -0.169651D+01 -0.711090D+01 -0.128089D+01
      3   0.477620D+00 -0.239365D+00 -0.551257D+00 -0.155675D+01 -0.178192D+01
               171           172           173           174           175 
      1   0.407216D+01 -0.168022D+01 -0.457504D+01  0.780790D+00 -0.260804D+01
      2  -0.316205D+01  0.987273D+01  0.397790D+01 -0.469534D+01  0.432510D+01
      3  -0.182105D+01  0.471175D+01  0.670931D+00 -0.278637D+01  0.397401D+01
               176           177           178           179           180 
      1  -0.398439D+01  0.481435D-01  0.940018D+00  0.288983D+01 -0.484919D+00
      2   0.376173D+01 -0.419058D+01 -0.536485D+01 -0.325077D+01  0.413983D+01
      3   0.102164D+01 -0.211920D+01 -0.262183D+01 -0.317258D+00  0.239667D+01
               181           182           183           184           185 
      1   0.620157D+01  0.371891D+01  0.135023D+01  0.337132D+01  0.172145D+01
      2  -0.180900D+02 -0.407804D+01 -0.405265D+01 -0.572951D+01 -0.260955D+01
      3  -0.264922D+01 -0.158415D+01 -0.128721D+01  0.102946D+01 -0.292321D+00
               186           187           188           189           190 
      1   0.943353D+00  0.230886D+01  0.275365D+01  0.269441D+01 -0.537336D+00
      2  -0.655959D+00 -0.751625D+01 -0.117042D+01 -0.505292D+01 -0.717338D+00
      3   0.205575D+00 -0.828568D+00 -0.707711D+00 -0.537862D+00 -0.762539D+00
               191           192           193           194           195 
      1  -0.880287D+00 -0.533019D+00 -0.186099D+01 -0.166960D+02  0.109258D+01
      2   0.125603D+01 -0.487408D+00  0.273735D+01 -0.220231D+01  0.281995D+01
      3  -0.562396D+00 -0.594768D+00  0.295834D+01 -0.100364D+02  0.387068D+01
               196           197           198           199           200 
      1  -0.644683D-01  0.307292D+01 -0.180362D+01  0.588564D+01 -0.466680D+01
      2  -0.164224D+01  0.859682D+00 -0.510920D+00  0.636707D+01 -0.201590D+01
      3  -0.573212D+00  0.132572D+01 -0.113034D+01  0.466351D+01 -0.441500D+01
               201           202           203           204           205 
      1  -0.431950D+01 -0.319860D+01  0.243321D+01  0.316898D+01 -0.358496D+01
      2  -0.186800D+00 -0.322431D+01  0.252696D+00 -0.114755D+01 -0.477207D+01
      3  -0.367104D+01 -0.172337D+01  0.194392D+01  0.247212D+01 -0.253967D+01
               206           207           208           209           210 
      1   0.390036D+01  0.517609D+01 -0.200603D+01  0.234427D+00 -0.141645D+01
      2   0.184818D-01  0.304000D-01  0.286267D+01  0.808691D+00  0.435073D+01
      3   0.226010D+01  0.342573D+01  0.247305D+01 -0.128308D+01  0.118477D+01
               211           212           213           214           215 
      1  -0.548625D-01 -0.936060D+00  0.103906D+01 -0.162925D+01  0.408777D+01
      2   0.135035D+01  0.244325D+01 -0.331628D+01  0.205430D+01 -0.259543D+01
      3  -0.786585D+00 -0.104861D+00 -0.235963D+01  0.841766D+00 -0.384513D+01
               216           217           218           219           220 
      1  -0.883601D+01  0.241747D+01 -0.668094D+00 -0.149955D+01 -0.381278D+00
      2   0.211889D+02 -0.976243D+01  0.142870D+01  0.881472D+01  0.280647D+01
      3   0.417922D+01  0.124136D+02 -0.661117D+01 -0.367701D+01 -0.593580D+01
               221           222           223           224           225 
      1   0.927941D+00 -0.285926D+00 -0.214765D+01  0.121150D+01  0.768464D+00
      2  -0.236808D+01 -0.385397D+01  0.656691D+01 -0.149284D+01 -0.581049D+01
      3   0.270779D+01  0.247323D+01 -0.490701D+01  0.415815D+01  0.396584D+01
               226           227           228           229           230 
      1   0.916247D+00  0.384736D+00 -0.170374D+00  0.568777D+00  0.396810D+01
      2  -0.142063D+01 -0.480685D+00  0.142525D+01 -0.193675D+00 -0.181332D+01
      3  -0.213285D+01 -0.165621D+01 -0.541786D+00 -0.252499D+01 -0.253568D+02
               231           232           233           234 
      1  -0.459109D+01 -0.523153D+00 -0.261991D+00  0.324544D+00
      2   0.350441D+01  0.114641D+01  0.196563D+01  0.294643D+00
      3   0.102588D+01 -0.951719D+00  0.175089D+01 -0.177999D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.149062D+02  0.319823D+01 -0.293513D+01  0.627889D+01 -0.265683D+02
      2   0.991437D+01 -0.479872D+00  0.273059D+01  0.132112D+01  0.325562D+02
      3   0.499188D+01 -0.271836D+01  0.204548D+00 -0.760001D+01 -0.598789D+01
      4  -0.715462D+01  0.994794D+00 -0.122285D+02 -0.248355D+01  0.522702D+02
      5  -0.177306D+02 -0.831958D+01 -0.532901D+01 -0.128724D+02  0.423497D+01
      6  -0.623119D+01 -0.821873D+01 -0.598919D+01 -0.581483D+01  0.611186D+01
                 6             7             8             9            10 
      1  -0.135084D+02 -0.475868D+01 -0.142339D+02 -0.187909D+02  0.160937D+01
      2   0.947478D+01  0.253164D+01  0.179058D+01  0.228004D+01  0.286965D+01
      3   0.403363D+01  0.222704D+01  0.124433D+02  0.165109D+02 -0.447902D+01
      4   0.383584D+01 -0.195367D+02  0.303896D+01  0.104942D+02 -0.187892D+01
      5   0.629010D+01 -0.518730D+01  0.673835D+01  0.948910D+01  0.230908D+01
      6   0.787203D+01 -0.426663D+01  0.115240D+02  0.581495D+01  0.222498D+01
                11            12            13            14            15 
      1  -0.379094D+01 -0.108212D+02  0.274930D+01  0.416063D+02  0.241858D+01
      2  -0.590485D+01  0.106790D+02 -0.774876D+01 -0.629238D+02  0.792134D+01
      3   0.969579D+01  0.142222D+00  0.499946D+01  0.213175D+02 -0.103399D+02
      4   0.359008D+01  0.447849D+01  0.846849D+01 -0.192015D+02  0.498115D+01
      5   0.158211D+01 -0.163380D+01  0.322117D+01  0.161605D+00  0.267084D+01
      6   0.162282D+02  0.138818D+02  0.726559D+01  0.580997D+01 -0.693763D+01
                16            17            18            19            20 
      1  -0.105353D+02 -0.142398D+01  0.222817D+02  0.157611D+02 -0.571145D+00
      2   0.650324D+01  0.243919D+02 -0.772266D+01 -0.128873D+02 -0.205416D+01
      3   0.403204D+01 -0.229679D+02 -0.145591D+02 -0.287381D+01  0.262530D+01
      4   0.474631D+01  0.897344D+01  0.448433D+01 -0.467406D+01  0.537074D+01
      5   0.487659D+00  0.550196D+01  0.682585D+01  0.184326D+01  0.805622D+01
      6   0.129487D+02 -0.209235D+02 -0.278925D+02 -0.242682D+01 -0.588286D+01
                21            22            23            24            25 
      1   0.503839D+01  0.190766D+01  0.998677D+01  0.120788D+02 -0.248556D+01
      2  -0.334561D+01 -0.211538D+01 -0.710487D+01 -0.225532D+01 -0.627724D+00
      3  -0.169279D+01  0.207716D+00 -0.288189D+01 -0.982351D+01  0.311328D+01
      4   0.547527D+01 -0.155475D+01 -0.538010D+02 -0.146426D+02 -0.196145D+01
      5   0.540782D+01  0.540573D+01 -0.972208D+01 -0.117209D+02  0.139363D+02
      6  -0.434958D+00 -0.687075D+00 -0.766364D+01 -0.116657D+01 -0.675719D+00
                26            27            28            29            30 
      1   0.996227D+01  0.116243D+02 -0.342806D+02 -0.226656D+01 -0.167291D+02
      2  -0.101319D+02 -0.126086D+02  0.267038D+02 -0.661345D+01  0.105378D+02
      3   0.169623D+00  0.984343D+00  0.757680D+01  0.888001D+01  0.619126D+01
      4  -0.175529D+02 -0.128909D+02 -0.373559D+01  0.315229D+01 -0.109507D+02
      5  -0.101614D+02 -0.142943D+02 -0.119471D+02 -0.149534D+02 -0.171833D+02
      6   0.459045D+01 -0.502117D+01  0.218624D+01  0.885240D+01  0.738779D+01
                31            32            33            34            35 
      1  -0.175344D+02  0.146444D+02 -0.182637D+02 -0.194101D+02 -0.214280D+02
      2   0.727495D+01 -0.267346D+02  0.179661D+02  0.789721D+01  0.260190D+02
      3   0.102594D+02  0.120902D+02  0.297601D+00  0.115129D+02 -0.459107D+01
      4  -0.181921D+01  0.379129D+02  0.169018D+01 -0.123218D+02  0.334523D+00
      5  -0.147037D+02 -0.501964D+01  0.113479D+02 -0.276623D+02  0.253069D+02
      6   0.326631D+01  0.130321D+02 -0.885242D+01  0.130522D+02 -0.178906D+02
                36            37            38            39            40 
      1  -0.136707D+02 -0.130894D+02 -0.377274D+01  0.148017D+01 -0.130480D+02
      2   0.107987D+02  0.881613D+01  0.306272D+01 -0.279799D+01  0.102441D+01
      3   0.287197D+01  0.427330D+01  0.710027D+00  0.131782D+01  0.120236D+02
      4   0.223718D+02  0.625542D+01  0.195241D+01  0.473455D+01  0.152173D+01
      5   0.320458D+02  0.423964D+01 -0.437063D+00 -0.277857D+00 -0.596545D+00
      6  -0.176162D+02  0.636491D+01 -0.865577D-01  0.348110D+01 -0.479213D+00
                41            42            43            44            45 
      1   0.207377D+02  0.365553D+01  0.913911D+01  0.110156D+02  0.886269D+00
      2  -0.123244D+02 -0.991878D+01 -0.277514D+01 -0.134007D+02  0.415944D+01
      3  -0.841335D+01  0.626325D+01 -0.636397D+01  0.238511D+01 -0.504571D+01
      4  -0.744087D+01 -0.131972D+01  0.907428D+01  0.509803D-01  0.141247D+01
      5   0.108476D+01  0.461370D+01 -0.513974D+01  0.143450D+01 -0.714568D+00
      6  -0.130586D+02 -0.181782D+02 -0.458243D+00 -0.107421D+02  0.346053D+01
                46            47            48            49            50 
      1   0.761523D+00 -0.879586D+01 -0.146060D+02 -0.103501D+02 -0.383748D+01
      2  -0.739713D+01  0.231482D+01  0.108851D+02  0.801435D+01  0.329904D+01
      3   0.663560D+01  0.648105D+01  0.372094D+01  0.233570D+01  0.538437D+00
      4  -0.149542D+02  0.296491D+01 -0.900063D+01  0.535768D+01  0.194263D+02
      5  -0.172531D+02 -0.412178D+01  0.798700D+01  0.112156D+01 -0.639233D+01
      6  -0.959375D+01 -0.547872D-01  0.157406D+01 -0.726782D+00 -0.426701D+01
                51            52            53            54            55 
      1  -0.556010D+01 -0.204775D+02 -0.787666D+01  0.105120D+02 -0.987115D+01
      2  -0.206567D+01  0.112401D+02  0.332513D+01 -0.513723D+01 -0.579370D+01
      3   0.762576D+01  0.923741D+01  0.455153D+01 -0.537481D+01  0.156648D+02
      4  -0.816735D+01 -0.765226D+01 -0.910747D+01  0.211433D+01  0.227453D+02
      5  -0.428073D+01  0.101843D+02 -0.128109D+01  0.404368D+01  0.291118D+00
      6   0.728922D+01  0.502812D+01 -0.510333D+00  0.321397D+01  0.116407D+01
                56            57            58            59            60 
      1   0.779003D+01  0.336709D+01  0.349752D+01 -0.137740D+02  0.321919D+01
      2   0.561226D+01 -0.107032D+02  0.473358D+01  0.100160D+02 -0.105061D+01
      3  -0.134023D+02  0.733614D+01 -0.823110D+01  0.375798D+01 -0.216859D+01
      4  -0.250032D+02  0.169100D+01 -0.232532D+02  0.663237D+01  0.302973D+01
      5   0.210571D+01  0.615822D+00 -0.154519D+01  0.237963D+01  0.445019D+00
      6  -0.982634D+01 -0.614433D+01 -0.645307D+01  0.304782D+01 -0.201828D+00
                61            62            63            64            65 
      1   0.130551D+01  0.601208D+01  0.170875D+01  0.769191D+01  0.871145D+01
      2  -0.629277D+01 -0.743460D+01  0.874258D+01  0.735537D+01  0.192217D+01
      3   0.498726D+01  0.142251D+01 -0.104513D+02 -0.150473D+02 -0.106336D+02
      4   0.429628D+01  0.465308D+01 -0.775151D+01 -0.472401D+01 -0.365967D+00
      5   0.298368D+01 -0.201643D+01 -0.131934D+01 -0.340188D+01  0.388646D+01
      6  -0.530824D+01  0.576199D+01  0.739406D+01  0.748648D+01  0.151856D+02
                66            67            68            69            70 
      1  -0.356843D+01  0.128253D+02 -0.262607D+01 -0.185538D+01  0.123034D+01
      2   0.153526D+02  0.431170D+01 -0.279369D+01 -0.176248D+01  0.114761D+02
      3  -0.117841D+02 -0.171370D+02  0.541976D+01  0.361785D+01 -0.127065D+02
      4   0.298331D+01  0.269444D+01 -0.302546D+01  0.870398D+01 -0.247486D+01
      5  -0.196240D+02  0.114301D+01  0.597760D+01 -0.144408D+02 -0.142598D+02
      6  -0.113251D+02  0.135204D+02 -0.508833D+01  0.499843D+01 -0.502188D+01
                71            72            73            74            75 
      1  -0.647291D+01 -0.457121D+01  0.351563D+02  0.993546D+01  0.107429D+02
      2   0.441683D+01 -0.117522D+01 -0.195378D+02 -0.471822D+01 -0.931814D+01
      3   0.205608D+01  0.574643D+01 -0.156185D+02 -0.521724D+01 -0.142474D+01
      4   0.546583D+01 -0.208677D+00  0.276664D+02  0.148055D+02  0.119498D+02
      5  -0.657952D+01 -0.504492D+01  0.240871D+02  0.927911D+01  0.170605D+02
      6  -0.174348D+00  0.113933D+01  0.824638D+01  0.522110D+01  0.578924D+01
                76            77            78            79            80 
      1   0.465135D+01  0.843193D+00 -0.273485D+00  0.119734D+02  0.354688D+01
      2  -0.676796D+00  0.235694D+01  0.217821D+00 -0.847880D+01  0.451314D+00
      3  -0.397456D+01 -0.320013D+01  0.556644D-01 -0.349460D+01 -0.399819D+01
      4   0.138667D+02  0.123808D+02  0.895238D+01  0.140404D+02  0.125724D+02
      5   0.670032D+01  0.804682D+01  0.673989D+01  0.153953D+02  0.540891D+01
      6   0.520651D+01  0.665620D+01  0.565943D+01  0.630254D+01  0.496171D+01
                81            82            83            84            85 
      1   0.554635D+01 -0.144125D+01 -0.509585D+01  0.515595D+00 -0.274713D+01
      2  -0.556918D+01  0.737375D+01  0.130846D+02 -0.779409D+00  0.848439D+01
      3   0.228330D-01 -0.593251D+01 -0.798877D+01  0.263814D+00 -0.573726D+01
      4   0.823443D+01  0.608431D+01  0.147084D+02 -0.166845D+01  0.816924D+01
      5   0.110330D+02 -0.331134D+00  0.451931D+00  0.235882D+01 -0.751948D-01
      6   0.533488D+01 -0.167507D+01 -0.138966D+01 -0.224590D+00 -0.545705D+00
                86            87            88            89            90 
      1  -0.471149D+02  0.280964D+01  0.153667D+01  0.123188D+02 -0.824797D+01
      2   0.854277D+02 -0.712361D+01 -0.232691D+01 -0.247431D+02  0.914148D+01
      3  -0.383128D+02  0.431396D+01  0.790238D+00  0.124243D+02 -0.893509D+00
      4   0.209169D+02 -0.225181D+01 -0.325825D+01 -0.607834D+01  0.233618D+01
      5   0.755339D-01  0.607187D+00  0.161338D+01  0.102394D+01 -0.162018D+01
      6  -0.594354D+01  0.844386D+01 -0.385689D+00  0.152031D+02 -0.243451D+01
                91            92            93            94            95 
      1  -0.225828D+01  0.348944D+01  0.569721D+01  0.159553D+01 -0.150278D+02
      2  -0.150250D+01 -0.167689D+01 -0.241547D+01 -0.143026D+01  0.158944D+02
      3   0.376078D+01 -0.181254D+01 -0.328173D+01 -0.165271D+00 -0.866621D+00
      4  -0.352862D+01  0.517352D+01  0.506073D+01  0.138050D+01  0.856424D+00
      5  -0.318379D+01  0.337359D+01  0.704360D+01  0.790917D+00 -0.105205D+01
      6   0.626362D+01 -0.699563D+01 -0.869460D+01 -0.367239D+01  0.117424D+02
                96            97            98            99           100 
      1  -0.895825D+01  0.718249D+01 -0.174305D+02 -0.283647D+02  0.703772D+02
      2   0.644580D+01 -0.142558D+01  0.679273D+01  0.147976D+01 -0.392610D+02
      3   0.251245D+01 -0.575691D+01  0.106378D+02  0.268849D+02 -0.311162D+02
      4  -0.147334D+01  0.355104D+01 -0.205073D+01 -0.227435D+01 -0.100174D+02
      5  -0.125425D+01  0.557847D+01 -0.281170D+01 -0.433044D+01  0.174648D+02
      6   0.141261D+02 -0.787468D+01  0.268473D+02  0.399927D+02 -0.558704D+01
               101           102           103           104           105 
      1   0.247779D+01  0.163060D+02  0.207216D+02  0.462778D+01  0.507172D+01
      2  -0.300662D+01 -0.100808D+02 -0.124053D+02 -0.157769D+01 -0.457760D+01
      3   0.528829D+00 -0.622515D+01 -0.831625D+01 -0.305009D+01 -0.494121D+00
      4   0.786899D+01 -0.217836D+01  0.541862D+01  0.342753D+01  0.285756D+01
      5   0.300262D+00  0.145050D+02  0.496304D+01  0.349724D+01  0.383598D+01
      6  -0.215727D+00 -0.483394D+01 -0.636836D+00 -0.115245D+01  0.868054D+00
               106           107           108           109           110 
      1   0.257880D+02  0.969096D+00  0.124094D+02  0.149352D+02 -0.522920D+01
      2  -0.160316D+02 -0.321559D+01 -0.102894D+02 -0.105008D+02  0.344209D+01
      3  -0.975640D+01  0.224649D+01 -0.212007D+01 -0.443439D+01  0.178710D+01
      4  -0.493462D+01  0.503503D+01 -0.301311D+01 -0.944555D+01  0.610434D+01
      5   0.185453D+02 -0.101760D+01  0.100903D+02 -0.128945D+02  0.804642D+01
      6  -0.467240D+01  0.256812D+01 -0.191746D+01  0.545337D+01 -0.399448D+01
               111           112           113           114           115 
      1  -0.802931D+01 -0.158848D+01 -0.101481D+01  0.190327D+01 -0.146670D+02
      2   0.554913D+01 -0.543946D+00  0.530492D+01 -0.999473D-01  0.114773D+02
      3   0.248017D+01  0.213243D+01 -0.429011D+01 -0.180332D+01  0.318971D+01
      4   0.886957D+01  0.108428D+02 -0.170128D+02 -0.102337D+02  0.193196D+02
      5   0.157554D+02  0.716864D+01 -0.921568D+01 -0.103794D+02  0.268524D+02
      6  -0.589418D+01 -0.461365D+01  0.557524D+01  0.104325D+02 -0.118732D+02
               116           117           118           119           120 
      1   0.631455D+01  0.404806D+01 -0.159754D+01 -0.950769D+01  0.465323D+01
      2  -0.508583D+01 -0.141818D+02  0.228338D+01  0.112129D+02 -0.291394D+01
      3  -0.122873D+01  0.101338D+02 -0.685837D+00 -0.170519D+01 -0.173929D+01
      4  -0.191651D+02 -0.205056D+02 -0.292891D+00 -0.204452D+01  0.129119D-01
      5  -0.222660D+02 -0.465030D+02  0.235226D+01  0.181303D+01  0.138707D+01
      6   0.164929D+02  0.251980D+02 -0.214672D+01 -0.334041D+01  0.124412D+01
               121           122           123           124           125 
      1  -0.708831D+01 -0.227397D+02  0.809153D+01  0.551185D+01  0.103686D+02
      2   0.569854D+00  0.454095D+02 -0.104260D+02 -0.128549D+01 -0.158913D+02
      3   0.651846D+01 -0.226697D+02  0.233444D+01 -0.422636D+01  0.552276D+01
      4   0.138044D+02 -0.443969D+02  0.754206D+01 -0.356331D+01  0.135711D+02
      5   0.478378D+00  0.108197D+02 -0.878404D+01  0.615615D+01 -0.129955D+02
      6   0.191270D+01 -0.162064D+02  0.101943D+02 -0.312656D+01  0.151769D+02
               126           127           128           129           130 
      1  -0.432474D+01  0.183915D+00 -0.100446D+01 -0.358828D+00  0.650250D+00
      2   0.468230D+01  0.232849D+01  0.635841D+00  0.424912D+00 -0.162376D+01
      3  -0.357561D+00 -0.251240D+01  0.368619D+00 -0.660846D-01  0.973506D+00
      4  -0.102033D+02 -0.786506D+00  0.809649D+01  0.226852D+01  0.705767D+01
      5   0.217164D+01 -0.108619D+01  0.345424D+01  0.385395D+01  0.326762D+01
      6  -0.570724D+01  0.434493D+01 -0.303107D+00  0.761543D+00 -0.310610D+01
               131           132           133           134           135 
      1  -0.224527D+02 -0.105505D+02  0.430649D+00 -0.902407D+01 -0.104196D+02
      2   0.271387D+02  0.818172D+01  0.407008D+00  0.628082D+01  0.212180D+01
      3  -0.468600D+01  0.236878D+01 -0.837657D+00  0.274325D+01  0.829784D+01
      4  -0.158660D+01 -0.129595D+01  0.195094D+01 -0.128861D+01  0.200407D+00
      5  -0.204061D+01 -0.944385D+00  0.303763D+01 -0.873686D+00 -0.202441D+01
      6   0.256908D+02  0.168118D+02 -0.100648D+01  0.154414D+02  0.115443D+02
               136           137           138           139           140 
      1   0.575829D+01  0.648483D+01  0.110365D+02  0.926393D+01  0.134971D+02
      2   0.160528D+02 -0.549705D+01 -0.108905D+02 -0.102354D+02 -0.190146D+02
      3  -0.218111D+02 -0.987781D+00 -0.145985D+00  0.971417D+00  0.551753D+01
      4   0.938529D+01  0.241699D+01  0.227027D+01  0.231627D+00 -0.153886D+02
      5   0.136546D+02 -0.823993D+01 -0.214023D+02 -0.121117D+02  0.606728D+01
      6  -0.582245D+01  0.303928D+01  0.386982D+01  0.533392D+01  0.277308D+02
               141           142           143           144           145 
      1  -0.191277D+01  0.925431D+01  0.177763D+01 -0.143818D+02 -0.171662D+02
      2   0.165418D+02 -0.891823D+01  0.940562D+01  0.204387D+01  0.139485D+02
      3  -0.146290D+02 -0.336082D+00 -0.111833D+02  0.123379D+02  0.321774D+01
      4   0.692029D+01  0.363077D+01  0.439702D+01  0.174150D+01  0.212834D+02
      5   0.892365D+01 -0.205388D+02  0.483119D+01  0.362343D+01  0.253046D+02
      6  -0.943240D+01  0.131543D+01 -0.325618D+01 -0.120453D+02  0.746066D+01
               146           147           148           149           150 
      1   0.182181D+02  0.247650D+02  0.294207D+02  0.119476D+02 -0.298151D+01
      2  -0.110063D+02 -0.110792D+02 -0.216735D+02 -0.278598D+02  0.356608D+01
      3  -0.721176D+01 -0.136858D+02 -0.774725D+01  0.159122D+02 -0.584569D+00
      4   0.220101D+01  0.401152D+01 -0.477088D+01 -0.346069D+02  0.671303D+01
      5   0.151417D+01 -0.960775D+01 -0.131890D+01  0.600022D+01  0.969099D+01
      6   0.653665D+00 -0.192645D+01  0.299248D+00 -0.114617D+01  0.292015D+01
               151           152           153           154           155 
      1   0.297483D+02 -0.206381D+01 -0.128336D+02  0.224060D+02 -0.892832D+01
      2  -0.122137D+02  0.306032D+01  0.150462D+02  0.340663D+00 -0.776092D+01
      3  -0.175346D+02 -0.996509D+00 -0.221257D+01 -0.227467D+02  0.166892D+02
      4   0.277540D+01  0.693645D+01  0.586355D+01 -0.346551D+02  0.294062D+02
      5  -0.148104D+02  0.764202D+01 -0.240174D+02  0.292909D+01 -0.259988D+01
      6  -0.358026D+01  0.374408D+01 -0.755735D+01 -0.338425D+01  0.349287D+01
               156           157           158           159           160 
      1  -0.592208D+00 -0.394226D+01 -0.220183D+00 -0.175181D-01 -0.742681D+00
      2   0.971583D+00 -0.974514D+01  0.175564D+02  0.789344D+00  0.761707D+00
      3  -0.379375D+00  0.136874D+02 -0.173362D+02 -0.771826D+00 -0.190259D-01
      4  -0.984753D+00  0.244710D+02 -0.265017D+02  0.336346D+00 -0.371760D+00
      5   0.581456D+01 -0.203429D+01  0.153414D+01 -0.212146D+01  0.618743D+01
      6  -0.318288D+01  0.282833D+01 -0.331224D+01  0.502217D+01 -0.414877D+01
               161           162           163           164           165 
      1   0.111790D+00  0.142415D+00  0.258837D+01  0.118080D+01 -0.452970D+01
      2   0.143398D+01  0.387833D+00 -0.136503D+02 -0.198512D+01 -0.149808D+02
      3  -0.154577D+01 -0.530248D+00  0.110619D+02  0.804327D+00  0.195105D+02
      4  -0.335854D+00 -0.526106D+01 -0.122613D+01  0.373824D+01 -0.232209D+01
      5  -0.414588D+01  0.214338D+00  0.188684D+02  0.563589D+00  0.200542D+02
      6   0.637380D+01 -0.230296D+01 -0.377919D+01  0.253288D+01 -0.415214D+01
               166           167           168           169           170 
      1  -0.135489D+01 -0.713579D+00 -0.143277D+01 -0.318539D+01  0.556053D+00
      2  -0.237464D+01 -0.240289D+01 -0.326954D+01 -0.123299D+02 -0.129651D+01
      3   0.372952D+01  0.311647D+01  0.470230D+01  0.155153D+02  0.740461D+00
      4   0.300451D+01  0.517673D+00  0.153962D+01 -0.146271D+01  0.194472D+01
      5   0.170093D+01  0.342727D+01  0.308378D+01  0.171294D+02  0.151820D+01
      6   0.220170D+01  0.120531D+01  0.532804D+01 -0.216491D+01  0.503137D+01
               171           172           173           174           175 
      1  -0.136709D+02 -0.302855D+01 -0.631591D+01  0.911553D+01 -0.479758D+01
      2  -0.214383D+02 -0.365281D+01  0.111176D+01  0.345270D+01  0.552879D+00
      3   0.351092D+02  0.668136D+01  0.520415D+01 -0.125682D+02  0.424471D+01
      4  -0.199951D+01  0.635892D+01  0.552457D+01 -0.575279D+01  0.490706D+01
      5   0.223910D+02 -0.135658D+02 -0.682302D+01  0.144841D+02 -0.610371D+01
      6  -0.605867D+01 -0.988597D+01 -0.117914D+02  0.132008D+02 -0.875907D+01
               176           177           178           179           180 
      1  -0.930750D+01  0.955201D+01  0.443479D+01  0.721862D+01 -0.126520D+02
      2   0.687825D+01 -0.302499D+00  0.201009D+01  0.245255D+00 -0.693797D+01
      3   0.242925D+01 -0.924951D+01 -0.644487D+01 -0.746388D+01  0.195899D+02
      4   0.402700D+01 -0.380163D+01 -0.252208D+01 -0.299777D+01  0.328027D+01
      5  -0.590801D+01  0.674964D+01  0.995007D+01  0.475420D+01 -0.920542D+01
      6  -0.134799D+02  0.141707D+02  0.690806D+01  0.103291D+02 -0.151733D+02
               181           182           183           184           185 
      1  -0.457005D+01 -0.403637D+00 -0.111066D+02 -0.236362D+01 -0.325703D+01
      2  -0.506002D+01 -0.442875D+00 -0.507772D+01  0.987272D+00  0.221283D+01
      3   0.963006D+01  0.846512D+00  0.161843D+02  0.137634D+01  0.104420D+01
      4  -0.774735D+01 -0.560298D+00 -0.253557D+01 -0.576733D+00  0.196142D+00
      5   0.120065D+02  0.264325D+01  0.657323D+01  0.446219D+01  0.100370D+01
      6   0.212083D+01  0.430361D+01 -0.287486D+01  0.262599D+01 -0.143970D+00
               186           187           188           189           190 
      1  -0.304056D+01 -0.652450D+01 -0.175232D+01 -0.785901D+01 -0.797145D+00
      2  -0.407258D+01 -0.382618D+01 -0.176120D+01 -0.687165D+01  0.592850D+00
      3   0.711314D+01  0.103507D+02  0.351352D+01  0.147307D+02  0.204295D+00
      4  -0.916289D+00 -0.275908D+01  0.231378D+00 -0.276130D+01  0.259195D+01
      5  -0.119989D+01  0.913264D+01  0.512918D+00  0.556887D+01 -0.334958D+01
      6   0.273563D+01 -0.953891D-01  0.327487D+01  0.119089D+01 -0.329700D+01
               191           192           193           194           195 
      1   0.183803D+01 -0.145973D+01  0.218085D+00 -0.219202D+02  0.118878D+02
      2  -0.313259D+00  0.181736D+01  0.209094D+01  0.312552D+02 -0.658702D+01
      3  -0.152477D+01 -0.357630D+00 -0.230902D+01 -0.933503D+01 -0.530080D+01
      4   0.688745D+01 -0.239887D+01  0.877294D+01  0.184660D+02 -0.682367D+01
      5  -0.329138D+01  0.557709D+01 -0.462688D+01 -0.636062D+01  0.533758D+01
      6  -0.193321D+01  0.579543D+00 -0.463142D+01 -0.366410D+02  0.200707D+02
               196           197           198           199           200 
      1  -0.527917D+00  0.522732D+01 -0.499688D+01  0.149895D+02 -0.303388D+01
      2   0.149181D+01 -0.788898D+00  0.123963D+01 -0.208869D+02  0.381071D+01
      3  -0.963895D+00 -0.443842D+01  0.375726D+01  0.589742D+01 -0.776831D+00
      4  -0.984967D+00 -0.225608D+01  0.287141D+01 -0.110241D+01  0.515321D+01
      5   0.403002D+01  0.232746D+01 -0.305719D+01 -0.294684D+02  0.500288D+01
      6   0.101872D+01  0.112367D+02 -0.732542D+01  0.372638D+01 -0.627992D+01
               201           202           203           204           205 
      1  -0.401204D+01 -0.494351D+01 -0.733405D-01 -0.135368D+00 -0.236358D+01
      2   0.172666D+02  0.715500D+01 -0.107715D+01 -0.854624D+01  0.126881D+02
      3  -0.132546D+02 -0.221150D+01  0.115049D+01  0.868161D+01 -0.103245D+02
      4   0.620347D-01  0.481954D+01 -0.250636D+01 -0.446132D+01 -0.738092D+00
      5   0.269313D+02  0.111559D+02 -0.695781D+01 -0.107819D+02  0.202971D+02
      6  -0.119323D+01 -0.585378D+01  0.205945D+01  0.676767D+01 -0.171842D+01
               206           207           208           209           210 
      1  -0.118446D+00 -0.234577D+01  0.795948D+01 -0.251763D+01  0.536880D+01
      2  -0.393626D+01 -0.173585D+02 -0.770940D+01  0.144318D+01 -0.607890D+01
      3   0.405471D+01  0.197043D+02 -0.250077D+00  0.107445D+01  0.710101D+00
      4  -0.280976D+01 -0.124161D+01 -0.123209D+01  0.135531D+01  0.807114D+00
      5  -0.415659D+01 -0.230709D+02  0.787245D+01 -0.688012D+00  0.135973D+02
      6   0.552717D+01  0.219830D+01  0.968090D+00  0.406689D+00  0.218559D+01
               211           212           213           214           215 
      1  -0.694060D+01 -0.127134D+01 -0.918168D+00  0.108273D+02  0.969467D+00
      2   0.450696D+01  0.164899D+01  0.189818D+01 -0.932535D+01  0.152639D+01
      3   0.243364D+01 -0.377653D+00 -0.980012D+00 -0.150195D+01 -0.249586D+01
      4   0.240034D+01  0.143700D+01  0.404658D+01  0.427231D+01  0.662990D+01
      5  -0.175316D+01  0.355869D+01 -0.432700D+01  0.192733D+02 -0.101279D+01
      6   0.700418D+00 -0.102455D-01  0.294154D+01  0.466410D+01  0.403259D+01
               216           217           218           219           220 
      1   0.347516D+01  0.640917D+02 -0.753082D+01 -0.163600D+02 -0.227783D+02
      2  -0.170994D+02 -0.346615D+02  0.524613D+01  0.918967D+01  0.131927D+02
      3   0.136242D+02 -0.294303D+02  0.228470D+01  0.717035D+01  0.958552D+01
      4   0.122859D+00 -0.883899D+00  0.853219D+01  0.606356D+00  0.100156D+02
      5   0.381267D+02 -0.164451D+02  0.176769D+01  0.130878D+02  0.488273D+01
      6   0.110808D+02 -0.360448D+01  0.293891D+00  0.303525D+01 -0.228378D-01
               221           222           223           224           225 
      1   0.594432D+01  0.436165D+01 -0.282161D+02  0.166812D+01  0.121937D+02
      2  -0.588595D+00 -0.304633D+01  0.157740D+02 -0.211959D+01 -0.100268D+02
      3  -0.535572D+01 -0.131532D+01  0.124421D+02  0.451473D+00 -0.216690D+01
      4  -0.255859D+01 -0.417355D+01 -0.864413D+00 -0.633164D+01 -0.177146D+01
      5  -0.390079D+01 -0.609478D+01  0.170514D+02 -0.253049D+01 -0.109327D+02
      6   0.392141D+00  0.548470D+00  0.274792D+01  0.693752D+00 -0.122308D+01
               226           227           228           229           230 
      1   0.499355D+01  0.520749D+01 -0.251710D+01  0.581359D+01 -0.129344D+02
      2   0.792961D+00 -0.132305D+01  0.137424D+01  0.611959D+01  0.394832D+02
      3  -0.578651D+01 -0.388444D+01  0.114286D+01 -0.119332D+02 -0.265488D+02
      4   0.549361D+01  0.950348D+01 -0.627088D+00  0.219462D+02  0.493853D+02
      5  -0.221981D+01  0.267058D+00  0.206688D+01  0.127948D+01 -0.129954D+01
      6  -0.577026D+00  0.102703D+00 -0.120136D+00  0.118741D+01  0.369308D+01
               231           232           233           234 
      1   0.126956D+01 -0.469904D+01  0.698512D+00 -0.434008D+00
      2  -0.172051D+01  0.136866D+01 -0.242344D+01  0.155740D+01
      3   0.450955D+00  0.333038D+01  0.172493D+01 -0.112339D+01
      4  -0.124192D+01 -0.225094D+01 -0.386053D+01  0.435476D+01
      5   0.599331D+01  0.446917D+01  0.467339D+01  0.856934D+00
      6   0.667170D+01  0.221691D+01  0.621268D+01 -0.653769D+00
 Leave Link  716 at Thu Jul  8 20:26:00 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.124693D+03 -0.174779D+00  0.345810D+00
      2  -0.174779D+00  0.121527D+03  0.463368D+01
      3   0.345810D+00  0.463368D+01  0.109103D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.142447D+00  0.285883D+01  0.460322D+01
      2   0.396837D+01  0.153266D+02 -0.360181D+01
      3   0.744539D+01 -0.223484D+02 -0.144312D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.117814D+02 -0.366678D+02  0.207192D+01
      2   0.537022D+01  0.183758D+02  0.746134D+01
      3  -0.171516D+02  0.182919D+02 -0.953327D+01
      4  -0.368929D+02  0.341154D+02  0.266058D+02
      5   0.145857D+02  0.239560D+02 -0.198940D+02
      6   0.989690D+01  0.182903D+02  0.876247D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.345749D+01  0.969981D-01 -0.180720D+01  0.200706D+01 -0.479348D+00
      2   0.969981D-01 -0.721580D+00 -0.265526D+01 -0.479348D+00  0.160299D+02
      3  -0.180720D+01 -0.265526D+01 -0.207435D+01 -0.220454D+01  0.309005D+01
                 6             7             8             9            10 
      1  -0.220454D+01 -0.139323D+01 -0.302080D+01 -0.183736D+01  0.950022D+00
      2   0.309005D+01 -0.302080D+01  0.239269D+01  0.360866D+01  0.836172D+00
      3   0.328807D+01 -0.183736D+01  0.360866D+01  0.549424D+01  0.546650D+00
                11            12            13            14            15 
      1   0.836172D+00  0.546650D+00  0.174622D+01  0.925499D-02  0.218170D+01
      2   0.676403D+00  0.346300D+01  0.925499D-02 -0.117058D+02  0.626715D+00
      3   0.346300D+01  0.300052D+01  0.218170D+01  0.626715D+00 -0.152812D+01
                16            17            18            19            20 
      1   0.114891D+01  0.311227D+01  0.294946D+01  0.241023D+01 -0.254975D+01
      2   0.311227D+01  0.254912D+01 -0.397229D+01 -0.254975D+01  0.120982D+01
      3   0.294946D+01 -0.397229D+01 -0.600298D+01 -0.326862D+00  0.115542D+01
                21            22            23            24            25 
      1  -0.326862D+00 -0.243633D+01  0.101980D+01  0.141147D+01 -0.102011D+01
      2   0.115542D+01  0.101980D+01 -0.160086D+02 -0.419053D+01  0.548328D+00
      3   0.735088D+00  0.141147D+01 -0.419053D+01 -0.428150D+01  0.157986D+01
                26            27            28            29            30 
      1   0.548328D+00  0.157986D+01 -0.453857D+01 -0.721438D+00 -0.123862D+01
      2  -0.453711D+01 -0.387556D+01 -0.721438D+00 -0.373799D+00 -0.286532D+01
      3  -0.387556D+01 -0.447080D+01 -0.123862D+01 -0.286532D+01 -0.269894D+01
                31            32            33            34            35 
      1  -0.266236D+01 -0.205217D+01 -0.270789D+01 -0.146319D+01 -0.275064D+01
      2  -0.205217D+01  0.980080D+01 -0.400605D+00 -0.275064D+01 -0.901452D+00
      3  -0.270789D+01 -0.400605D+00  0.190463D+01 -0.432579D+01  0.396153D+01
                36            37            38            39            40 
      1  -0.432579D+01  0.467803D+01  0.186935D+01 -0.280201D+01 -0.214458D+01
      2   0.396153D+01  0.186935D+01  0.110104D+01 -0.961957D+00  0.933909D-01
      3   0.491565D+01 -0.280201D+01 -0.961957D+00  0.366695D+01 -0.196332D+01
                41            42            43            44            45 
      1   0.933909D-01 -0.196332D+01 -0.600930D+01 -0.123030D+01  0.258753D+01
      2   0.431373D+01  0.411946D+01 -0.123030D+01  0.359653D+01  0.324568D+00
      3   0.411946D+01 -0.159406D+01  0.258753D+01  0.324568D+00  0.381868D+00
                46            47            48            49            50 
      1  -0.403225D+01  0.153804D+01  0.526244D+01  0.369294D+01 -0.175146D+01
      2   0.153804D+01 -0.144917D+01  0.645567D+00 -0.175146D+01 -0.828653D+01
      3   0.526244D+01  0.645567D+00 -0.200253D+01  0.100696D+01  0.178391D+01
                51            52            53            54            55 
      1   0.100696D+01  0.785591D+01  0.112618D+01 -0.165661D+01  0.288780D+01
      2   0.178391D+01  0.112618D+01  0.257586D+01  0.155889D+01 -0.416879D+01
      3   0.109048D+01 -0.165661D+01  0.155889D+01 -0.251661D+01 -0.157404D+01
                56            57            58            59            60 
      1  -0.416879D+01 -0.157404D+01 -0.388201D+01  0.492024D+01 -0.177987D+01
      2   0.466565D+01 -0.154308D+01  0.492024D+01  0.361445D+01 -0.263363D+01
      3  -0.154308D+01 -0.159214D+01 -0.177987D+01 -0.263363D+01  0.301198D+01
                61            62            63            64            65 
      1  -0.170878D+01 -0.189828D+01 -0.180287D+01  0.185955D+00 -0.902765D+00
      2  -0.189828D+01 -0.324656D+01  0.173463D+01 -0.902765D+00 -0.249100D+01
      3  -0.180287D+01  0.173463D+01  0.353868D+01  0.365841D+01  0.405471D+01
                66            67            68            69            70 
      1   0.365841D+01  0.613701D+00 -0.195142D+01  0.467262D+01  0.306246D+01
      2   0.405471D+01 -0.195142D+01  0.121282D+01 -0.114386D+01  0.302278D+01
      3   0.850977D+00  0.467262D+01 -0.114386D+01 -0.761188D+00  0.123148D+01
                71            72            73            74            75 
      1   0.302278D+01  0.123148D+01  0.797599D+01  0.266459D+01  0.337341D+01
      2  -0.834663D+00 -0.141240D+01  0.266459D+01  0.120420D+01  0.130402D+01
      3  -0.141240D+01 -0.682720D+00  0.337341D+01  0.130402D+01  0.231480D+01
                76            77            78            79            80 
      1   0.200208D+01  0.145590D+01  0.992524D+00  0.346868D+01  0.168100D+01
      2   0.145590D+01  0.207860D+01  0.150443D+01  0.168100D+01  0.192406D+01
      3   0.992524D+00  0.150443D+01  0.133468D+01  0.231646D+01  0.851495D+00
                81            82            83            84            85 
      1   0.231646D+01  0.935082D+00  0.148609D+01 -0.406569D+00  0.133914D+01
      2   0.851495D+00  0.148609D+01  0.221837D+01 -0.322171D+00  0.126322D+01
      3   0.140968D+01 -0.406569D+00 -0.322171D+00 -0.132590D+00 -0.309139D+00
                86            87            88            89            90 
      1   0.126322D+01 -0.309139D+00 -0.802432D+00 -0.738356D+00 -0.117336D+00
      2   0.137754D+02 -0.102271D+01 -0.738356D+00 -0.379661D+01  0.225958D+01
      3  -0.102271D+01  0.103164D+01 -0.117336D+00  0.225958D+01 -0.102588D+00
                91            92            93            94            95 
      1  -0.124889D+01  0.708173D+00  0.144902D+01  0.137044D+00 -0.710505D+00
      2   0.708173D+00 -0.775434D+00 -0.123224D+01 -0.710505D+00  0.363217D+01
      3   0.144902D+01 -0.123224D+01 -0.189228D+01 -0.559088D+00  0.217204D+01
                96            97            98            99           100 
      1  -0.559088D+00  0.156631D+01 -0.138550D+01 -0.177095D+01  0.894329D+01
      2   0.217204D+01 -0.138550D+01  0.347688D+01  0.440067D+01  0.165013D-01
      3   0.179966D+01 -0.177095D+01  0.440067D+01  0.853699D+01  0.219789D+01
               101           102           103           104           105 
      1   0.165013D-01  0.219789D+01  0.295953D+01  0.656876D+00  0.660484D+00
      2   0.735396D+00  0.107868D+00  0.656876D+00  0.386517D+00  0.516859D+00
      3   0.107868D+00  0.161512D+01  0.660484D+00  0.516859D+00  0.466392D+00
               106           107           108           109           110 
      1   0.369749D+01 -0.133390D+00  0.227172D+01  0.235635D+01 -0.922419D+00
      2  -0.133390D+00  0.789116D+00 -0.208926D+00 -0.922419D+00  0.363951D+00
      3   0.227172D+01 -0.208926D+00  0.115819D+01 -0.170378D+01  0.101848D+01
               111           112           113           114           115 
      1  -0.170378D+01 -0.729070D+00  0.164150D+01  0.110695D+01 -0.348701D+01
      2   0.101848D+01  0.164150D+01 -0.319778D+01 -0.160849D+01  0.276868D+01
      3   0.178287D+01  0.110695D+01 -0.160849D+01 -0.169725D+01  0.351983D+01
               116           117           118           119           120 
      1   0.276868D+01  0.351983D+01 -0.455191D+00 -0.506033D+00  0.557133D+00
      2  -0.309890D+01 -0.352886D+01 -0.506033D+00 -0.200314D+01  0.464550D+00
      3  -0.352886D+01 -0.748831D+01  0.557133D+00  0.464550D+00 -0.142238D+00
               121           122           123           124           125 
      1  -0.178498D+01  0.167634D+01  0.339930D+00  0.974372D+00 -0.130085D+00
      2   0.167634D+01 -0.103712D+02  0.184798D+01 -0.130085D+00  0.319215D+01
      3   0.339930D+00  0.184798D+01 -0.152890D+01  0.664809D+00 -0.240169D+01
               126           127           128           129           130 
      1   0.664809D+00  0.418903D+00 -0.119292D+01 -0.175857D+00 -0.162461D+01
      2  -0.240169D+01 -0.119292D+01 -0.311375D+00  0.123284D+00  0.780796D+00
      3   0.649832D+00 -0.175857D+00  0.123284D+00 -0.175671D+00  0.406385D+00
               131           132           133           134           135 
      1   0.780796D+00  0.406385D+00 -0.541110D-01  0.501266D+00  0.109488D+00
      2  -0.792756D+01 -0.337727D+01  0.501266D+00 -0.282084D+01 -0.224562D+01
      3  -0.337727D+01 -0.220887D+01  0.109488D+00 -0.224562D+01 -0.233397D+01
               136           137           138           139           140 
      1  -0.483694D+00 -0.249608D+01 -0.467438D+01 -0.338218D+01  0.987035D+00
      2  -0.249608D+01  0.636264D+00  0.240343D+00  0.987035D+00  0.681512D+01
      3  -0.467438D+01  0.240343D+00  0.146269D+01  0.402122D+00 -0.266701D+01
               141           142           143           144           145 
      1   0.402122D+00 -0.475233D+01  0.127802D+00  0.154467D+01  0.152229D+01
      2  -0.266701D+01  0.127802D+00 -0.143517D+01 -0.197309D+01 -0.304961D+01
      3  -0.204531D+01  0.154467D+01 -0.197309D+01  0.209779D+01 -0.412791D+01
               146           147           148           149           150 
      1  -0.304961D+01 -0.412791D+01 -0.456382D+01  0.159221D+01 -0.244469D+00
      2   0.898715D-01 -0.267033D+00  0.159221D+01  0.753454D+01 -0.107102D+01
      3  -0.267033D+00  0.147489D+01 -0.244469D+00 -0.107102D+01 -0.199705D+01
               151           152           153           154           155 
      1  -0.508641D+01 -0.170904D+00  0.226379D+01 -0.707320D+01  0.452969D+01
      2  -0.170904D+00 -0.136832D+01 -0.162367D+01  0.452969D+01 -0.414767D+01
      3   0.226379D+01 -0.162367D+01  0.462482D+01  0.612749D-01  0.286574D+00
               156           157           158           159           160 
      1   0.612749D-01  0.343192D+01 -0.366101D+01  0.392264D+00  0.250942D+00
      2   0.286574D+00 -0.366101D+01  0.451257D+01  0.618087D-01  0.290290D+00
      3  -0.695157D+00  0.392264D+00  0.618087D-01  0.430205D+00 -0.982679D+00
               161           162           163           164           165 
      1   0.290290D+00 -0.982679D+00 -0.402488D+01 -0.346348D+00 -0.329558D+01
      2   0.246338D+00  0.961540D+00 -0.346348D+00 -0.563284D+00 -0.241047D+00
      3   0.961540D+00 -0.239965D+00 -0.329558D+01 -0.241047D+00 -0.405766D+01
               166           167           168           169           170 
      1  -0.835944D+00 -0.696932D+00 -0.700186D+00 -0.261939D+01 -0.253325D+00
      2  -0.696932D+00 -0.489551D+00 -0.757994D+00 -0.253325D+00 -0.510426D+00
      3  -0.700186D+00 -0.757994D+00 -0.670096D+00 -0.342261D+01 -0.781053D-01
               171           172           173           174           175 
      1  -0.342261D+01  0.327327D+01  0.164678D+01 -0.279945D+01  0.123373D+01
      2  -0.781053D-01  0.164678D+01  0.192894D+01 -0.209370D+01  0.147797D+01
      3  -0.644168D+01 -0.279945D+01 -0.209370D+01  0.338792D+01 -0.162356D+01
               176           177           178           179           180 
      1   0.147797D+01 -0.162356D+01 -0.145490D+01 -0.992247D+00  0.165154D+01
      2   0.247675D+01 -0.202967D+01 -0.992247D+00 -0.116485D+01  0.182627D+01
      3  -0.202967D+01  0.254607D+01  0.165154D+01  0.182627D+01 -0.422750D+01
               181           182           183           184           185 
      1   0.468342D+01  0.103492D+01  0.160049D+01  0.160373D+01  0.697540D+00
      2   0.103492D+01  0.918341D+00 -0.201119D+00  0.697540D+00 -0.403215D-01
      3   0.160049D+01 -0.201119D+00  0.280139D+01 -0.299148D-01  0.540594D+00
               186           187           188           189           190 
      1  -0.299148D-01  0.180988D+01  0.961024D-01  0.164704D+01 -0.416445D+00
      2   0.540594D+00  0.961024D-01  0.548138D+00  0.585119D+00 -0.876023D+00
      3   0.130120D+01  0.164704D+01  0.585119D+00  0.220485D+01  0.955952D+00
               191           192           193           194           195 
      1  -0.876023D+00  0.955952D+00 -0.107025D+01 -0.108699D+01  0.395893D+00
      2  -0.390485D+00  0.122958D+00 -0.108699D+01 -0.863087D+01  0.335048D+01
      3   0.122958D+00 -0.477495D+00  0.395893D+00  0.335048D+01 -0.265258D+01
               196           197           198           199           200 
      1   0.447399D+00  0.817894D-01 -0.364833D+00 -0.486233D+01  0.918529D+00
      2   0.817894D-01  0.108593D+01 -0.129294D+01  0.918529D+00 -0.113058D+01
      3  -0.364833D+00 -0.129294D+01  0.100716D+01  0.373393D+01 -0.385208D+00
               201           202           203           204           205 
      1   0.373393D+01  0.199938D+01 -0.112305D+01 -0.126420D+01  0.253399D+01
      2  -0.385208D+00 -0.112305D+01  0.255318D+00  0.122044D+01 -0.415460D+00
      3  -0.401269D+01 -0.126420D+01  0.122044D+01  0.204743D+01 -0.280062D+01
               206           207           208           209           210 
      1  -0.415460D+00 -0.280062D+01 -0.116234D+01  0.519723D+00 -0.121680D+01
      2   0.756157D+00  0.732992D+00  0.519723D+00 -0.559862D-01 -0.343143D-03
      3   0.732992D+00  0.407261D+01 -0.121680D+01 -0.343143D-03 -0.155697D+01
               211           212           213           214           215 
      1   0.116714D+01 -0.323951D+00  0.135858D+00 -0.234109D+01 -0.481628D+00
      2  -0.323951D+00 -0.323943D+00 -0.799002D+00 -0.481628D+00 -0.107281D+01
      3   0.135858D+00 -0.799002D+00  0.775589D+00 -0.246405D+01  0.297805D+00
               216           217           218           219           220 
      1  -0.246405D+01 -0.857076D+01  0.788758D+00  0.233010D+01  0.346559D+01
      2   0.297805D+00  0.788758D+00 -0.972039D+00 -0.269069D+00 -0.136873D+01
      3  -0.686639D+01  0.233010D+01 -0.269069D+00 -0.151600D+01 -0.611337D+00
               221           222           223           224           225 
      1  -0.136873D+01 -0.611337D+00  0.446640D+01 -0.478276D-01 -0.216427D+01
      2   0.131168D+00  0.597831D+00 -0.478276D-01  0.894367D+00  0.439550D+00
      3   0.597831D+00  0.904219D+00 -0.216427D+01  0.439550D+00  0.141131D+01
               226           227           228           229           230 
      1  -0.894561D+00 -0.922144D+00  0.422347D+00 -0.228310D+01 -0.306649D+01
      2  -0.922144D+00 -0.362720D+00  0.507874D-01 -0.306649D+01 -0.958768D+01
      3   0.422347D+00  0.507874D-01 -0.665169D-01 -0.107665D+00  0.269181D+00
               231           232           233           234 
      1  -0.107665D+00  0.909525D+00  0.292252D+00 -0.627689D+00
      2   0.269181D+00  0.292252D+00  0.760386D+00 -0.930126D+00
      3  -0.967313D+00 -0.627689D+00 -0.930126D+00 -0.130164D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.153073D+01  0.167781D+01  0.316716D+00  0.305879D+01  0.917540D+01
      2   0.196532D+01 -0.186640D+01 -0.199409D+01  0.684650D-02  0.875400D+01
      3  -0.234036D+01 -0.536384D+01  0.131194D+01  0.131396D+01 -0.426801D+02
                 6             7             8             9            10 
      1  -0.223976D+01  0.910593D+00  0.483188D+01 -0.134292D+00 -0.115896D+01
      2   0.112961D+02 -0.916641D+01  0.138508D+02  0.152170D+02 -0.901978D+00
      3  -0.120996D+02  0.117106D+01 -0.102038D+02 -0.136517D+02  0.369724D+01
                11            12            13            14            15 
      1  -0.776363D+01 -0.431436D+01 -0.452215D+01 -0.170007D+02  0.840569D+00
      2   0.257825D+01  0.283517D+01 -0.771581D-01 -0.396028D+01 -0.227508D+01
      3  -0.469371D+01 -0.280084D+01  0.526775D+01  0.799243D+01  0.621954D+01
                16            17            18            19            20 
      1  -0.573859D+01  0.180045D+02  0.144417D+02 -0.143830D+01 -0.181276D+01
      2  -0.900089D+00 -0.275960D+01 -0.540284D+01 -0.588800D+00  0.561273D+01
      3  -0.643556D+00  0.955792D+01  0.112119D+02  0.943105D+01 -0.659966D+01
                21            22            23            24            25 
      1   0.101544D+00 -0.247855D+01 -0.115424D+02 -0.183239D+01 -0.254561D+01
      2   0.173809D+01  0.445604D+01 -0.104755D+02 -0.122637D+02 -0.499934D+01
      3  -0.462176D+01  0.364766D+01  0.419900D+02  0.133002D+02 -0.297438D+01
                26            27            28            29            30 
      1   0.445143D+01  0.275026D+01 -0.162486D+01 -0.580728D+01 -0.495402D+01
      2  -0.101141D+02 -0.165155D+02 -0.549307D+01 -0.943883D+01 -0.616452D+01
      3   0.137222D+02  0.107688D+02  0.114944D+02 -0.214848D+01  0.107867D+02
                31            32            33            34            35 
      1  -0.332798D+01 -0.632098D+01  0.230257D+01 -0.984462D+01  0.137923D+02
      2  -0.858485D+01 -0.301918D+01  0.453283D+01 -0.164592D+02  0.139267D+02
      3   0.126681D+02 -0.299895D+02  0.594347D+01  0.107221D+02  0.106986D+02
                36            37            38            39            40 
      1   0.973759D+01 -0.113736D+01  0.319770D+00  0.518532D+01 -0.441744D+01
      2   0.153135D+02  0.828941D+01  0.326827D+01  0.337385D+01 -0.315486D+01
      3  -0.439880D+01 -0.138536D+02 -0.843173D+01 -0.684527D+00  0.840361D+01
                41            42            43            44            45 
      1   0.119665D+01 -0.117255D+02  0.804043D+01  0.449113D+00  0.451404D+01
      2   0.293924D+01 -0.508517D+01 -0.993846D+01 -0.425112D+01  0.440648D+01
      3   0.214572D+01  0.264199D+01  0.526742D+01 -0.489843D+00 -0.659793D+01
                46            47            48            49            50 
      1   0.481506D+01 -0.494395D+00 -0.244250D+01 -0.121640D+01 -0.213154D+01
      2  -0.131831D+02 -0.280239D+01  0.693027D+01  0.100391D+01 -0.191660D+01
      3   0.121243D+02 -0.576433D+01 -0.215280D+01 -0.284033D+01 -0.166556D+02
                51            52            53            54            55 
      1  -0.191794D+01 -0.276784D+01  0.749244D+01 -0.279048D+01  0.295073D+01
      2  -0.962982D+00 -0.567993D+00 -0.334377D+01  0.681366D+01  0.267906D+01
      3   0.278170D+01 -0.761896D+01  0.257504D+01  0.531511D+01 -0.364178D+01
                56            57            58            59            60 
      1   0.257497D+01  0.660181D+01  0.335119D+01  0.432221D+01 -0.704978D+01
      2   0.199524D+01  0.445067D+01  0.158704D+01  0.279825D+01 -0.370210D+01
      3  -0.619812D+01 -0.382174D+01  0.327223D+01  0.131066D+02 -0.568316D+01
                61            62            63            64            65 
      1   0.446377D+01  0.213757D+00 -0.945190D+01 -0.236110D+01  0.311720D+01
      2  -0.229407D+01 -0.276692D+01 -0.528278D+01 -0.142584D+01 -0.459370D+01
      3  -0.520837D+01 -0.689464D+01 -0.139220D+01  0.197127D+01 -0.463826D+01
                66            67            68            69            70 
      1  -0.132152D+02  0.615303D+01 -0.201916D+01  0.719904D+01 -0.107129D+02
      2   0.106577D+02 -0.106192D+01 -0.453355D+01  0.146146D+02  0.280644D+01
      3   0.660310D+01 -0.152527D+01 -0.200996D+01 -0.939938D+00  0.479372D+01
                71            72            73            74            75 
      1   0.837361D+01  0.274898D+01 -0.204505D+01  0.243925D+00 -0.294286D+01
      2   0.917527D+01  0.473913D+01 -0.556046D+00  0.110976D+01  0.581571D+01
      3   0.625703D+00  0.109840D+01  0.538492D+01 -0.177219D+01  0.161895D+01
                76            77            78            79            80 
      1  -0.287639D+00 -0.679742D+00 -0.118848D+01 -0.190751D+01  0.268501D+01
      2  -0.693909D-01  0.290105D+01  0.285805D+01  0.506791D+00 -0.166879D+01
      3   0.113545D+01 -0.217147D+01 -0.150975D+01  0.142285D+01 -0.389059D+01
                81            82            83            84            85 
      1  -0.126640D+01  0.185024D+01  0.286037D+01 -0.108823D-02  0.708774D+00
      2   0.114753D+01 -0.772340D+00 -0.452931D+00  0.148253D+01 -0.102504D+01
      3   0.152636D+01  0.223620D+01  0.136847D+01 -0.793092D+00  0.683600D+01
                86            87            88            89            90 
      1   0.130890D+02 -0.635426D+01  0.500037D+00 -0.773876D+01  0.273870D+01
      2   0.934563D+00  0.749135D+00 -0.586529D+00  0.925671D+00  0.306643D+00
      3  -0.487290D+01 -0.438765D+00 -0.280656D+01 -0.269825D+00 -0.184467D+01
                91            92            93            94            95 
      1  -0.320138D+01  0.182084D+01  0.418142D+01  0.384624D+00 -0.881190D+00
      2   0.230213D+01 -0.120623D+01 -0.105609D+01 -0.809267D+00  0.231697D+01
      3  -0.446338D+01  0.444572D+00  0.424254D+01  0.207054D+01 -0.393593D+01
                96            97            98            99           100 
      1  -0.283698D+01  0.348568D+01 -0.447392D+01 -0.181787D+02  0.385279D+01
      2   0.873786D+00 -0.559151D+01  0.283325D+01  0.449904D+01  0.780851D+01
      3  -0.278025D+01  0.737890D+01 -0.600269D+01 -0.725342D+01 -0.133157D+02
               101           102           103           104           105 
      1   0.950611D+00  0.262853D+01  0.825572D+00  0.137892D+01 -0.191586D+00
      2   0.355026D+00  0.791315D+01  0.198440D+01  0.166043D+01  0.211403D+01
      3  -0.523988D+01 -0.405044D+01 -0.379942D+01 -0.308765D+01 -0.260781D+01
               106           107           108           109           110 
      1   0.304196D+01  0.605453D+00  0.143670D+01 -0.256539D+01  0.156979D+01
      2   0.536972D+01  0.187702D-01  0.471519D+01 -0.350531D+01  0.263515D+01
      3  -0.524887D+01 -0.365371D+01 -0.241807D+01 -0.733022D+00 -0.186135D+01
               111           112           113           114           115 
      1   0.330468D+01  0.182887D+01 -0.883419D+00 -0.356274D+01  0.566987D+01
      2   0.550164D+01  0.281714D+01 -0.414421D+01 -0.489603D+01  0.636465D+01
      3  -0.124029D+01 -0.229666D+01  0.764390D+01  0.301309D+01 -0.181747D+01
               116           117           118           119           120 
      1  -0.379236D+01 -0.126850D+02  0.601433D+00  0.203215D+01 -0.432709D+00
      2  -0.890090D+01 -0.215721D+02  0.157159D+01  0.229884D+01  0.376792D+00
      3   0.537975D+01  0.511659D+01  0.285303D+01  0.593007D+01 -0.262051D+01
               121           122           123           124           125 
      1  -0.353640D+00  0.585039D+01 -0.568946D+01  0.121791D+01 -0.449984D+01
      2   0.142743D+01  0.519519D+01 -0.454639D+01  0.381613D+00 -0.611469D+01
      3   0.663123D+00  0.293533D+02 -0.641056D+01 -0.221624D+01 -0.101796D+02
               126           127           128           129           130 
      1   0.210745D+01  0.134891D+01 -0.336751D+00 -0.190169D+00 -0.629383D+00
      2   0.222004D+01  0.945068D+00 -0.126249D+01  0.921616D+00 -0.285349D+01
      3   0.605048D+01 -0.575991D+00  0.131511D+00  0.208433D-01  0.574296D+01
               131           132           133           134           135 
      1   0.604492D+01 -0.233603D+01 -0.187556D+00  0.296694D+01 -0.909538D+00
      2   0.780707D+00  0.167571D+00 -0.232131D+01  0.618464D-02 -0.560726D+00
      3   0.432563D+00 -0.377075D-02  0.905819D+00  0.459287D+00  0.220361D+00
               136           137           138           139           140 
      1  -0.119438D+02  0.898968D+00  0.217739D+01  0.326080D+01  0.142291D+02
      2   0.106791D+02  0.503054D+01  0.123775D+02  0.677754D+01  0.128931D+01
      3  -0.370787D+01  0.445204D+00  0.526975D+01  0.685181D+01  0.913900D+01
               141           142           143           144           145 
      1  -0.127020D+02  0.109610D+01 -0.385686D+01 -0.318108D+01 -0.308550D+01
      2   0.162912D+01  0.686646D+01  0.329217D+01 -0.473974D+01  0.129339D+02
      3  -0.425737D+01  0.440940D+01 -0.242208D+01 -0.391282D+01 -0.140622D+02
               146           147           148           149           150 
      1  -0.209058D-01  0.274708D+01 -0.939912D+00 -0.405472D+01 -0.400108D+01
      2  -0.111696D+01 -0.559650D+01 -0.255343D+01  0.316426D+01  0.556613D+01
      3   0.325740D+01  0.425574D+01  0.133674D+02  0.231517D+02 -0.261010D+01
               151           152           153           154           155 
      1   0.464018D+01  0.779497D+00  0.813270D+01 -0.131175D+01  0.644834D+00
      2  -0.153376D+02  0.393642D+01 -0.167323D+02 -0.132810D+01  0.859255D+00
      3   0.518636D+01 -0.308246D+01 -0.811917D+01 -0.780814D+01 -0.133427D+01
               156           157           158           159           160 
      1   0.278683D+01  0.498345D+00 -0.162759D+01 -0.324234D+01  0.161914D+01
      2   0.368734D+01  0.426881D+00 -0.108323D+01 -0.213334D+01  0.156013D+00
      3   0.195009D+00  0.410188D+01  0.719783D+00  0.601036D+00  0.413743D+00
               161           162           163           164           165 
      1  -0.507491D+00  0.390471D+00  0.372623D+01  0.397664D+01  0.426941D+01
      2  -0.101429D+01  0.133085D+00 -0.103550D+02 -0.157889D+01 -0.386278D+01
      3   0.122789D+01 -0.417372D+00 -0.332682D+01 -0.285937D+01 -0.245742D+01
               166           167           168           169           170 
      1   0.209008D+01  0.209980D+01  0.556615D+00  0.363881D+01  0.333827D+01
      2  -0.236958D+01 -0.106583D+01 -0.169651D+01 -0.711090D+01 -0.128089D+01
      3   0.477620D+00 -0.239365D+00 -0.551257D+00 -0.155675D+01 -0.178192D+01
               171           172           173           174           175 
      1   0.407216D+01 -0.168022D+01 -0.457504D+01  0.780790D+00 -0.260804D+01
      2  -0.316205D+01  0.987273D+01  0.397790D+01 -0.469534D+01  0.432510D+01
      3  -0.182105D+01  0.471175D+01  0.670931D+00 -0.278637D+01  0.397401D+01
               176           177           178           179           180 
      1  -0.398439D+01  0.481435D-01  0.940018D+00  0.288983D+01 -0.484919D+00
      2   0.376173D+01 -0.419058D+01 -0.536485D+01 -0.325077D+01  0.413983D+01
      3   0.102164D+01 -0.211920D+01 -0.262183D+01 -0.317258D+00  0.239667D+01
               181           182           183           184           185 
      1   0.620157D+01  0.371891D+01  0.135023D+01  0.337132D+01  0.172145D+01
      2  -0.180900D+02 -0.407804D+01 -0.405265D+01 -0.572951D+01 -0.260955D+01
      3  -0.264922D+01 -0.158415D+01 -0.128721D+01  0.102946D+01 -0.292321D+00
               186           187           188           189           190 
      1   0.943353D+00  0.230886D+01  0.275365D+01  0.269441D+01 -0.537336D+00
      2  -0.655959D+00 -0.751625D+01 -0.117042D+01 -0.505292D+01 -0.717338D+00
      3   0.205575D+00 -0.828568D+00 -0.707711D+00 -0.537862D+00 -0.762539D+00
               191           192           193           194           195 
      1  -0.880287D+00 -0.533019D+00 -0.186099D+01 -0.166960D+02  0.109258D+01
      2   0.125603D+01 -0.487408D+00  0.273735D+01 -0.220231D+01  0.281995D+01
      3  -0.562396D+00 -0.594768D+00  0.295834D+01 -0.100364D+02  0.387068D+01
               196           197           198           199           200 
      1  -0.644683D-01  0.307292D+01 -0.180362D+01  0.588564D+01 -0.466680D+01
      2  -0.164224D+01  0.859682D+00 -0.510920D+00  0.636707D+01 -0.201590D+01
      3  -0.573212D+00  0.132572D+01 -0.113034D+01  0.466351D+01 -0.441500D+01
               201           202           203           204           205 
      1  -0.431950D+01 -0.319860D+01  0.243321D+01  0.316898D+01 -0.358496D+01
      2  -0.186800D+00 -0.322431D+01  0.252696D+00 -0.114755D+01 -0.477207D+01
      3  -0.367104D+01 -0.172337D+01  0.194392D+01  0.247212D+01 -0.253967D+01
               206           207           208           209           210 
      1   0.390036D+01  0.517609D+01 -0.200603D+01  0.234427D+00 -0.141645D+01
      2   0.184818D-01  0.304000D-01  0.286267D+01  0.808691D+00  0.435073D+01
      3   0.226010D+01  0.342573D+01  0.247305D+01 -0.128308D+01  0.118477D+01
               211           212           213           214           215 
      1  -0.548625D-01 -0.936060D+00  0.103906D+01 -0.162925D+01  0.408777D+01
      2   0.135035D+01  0.244325D+01 -0.331628D+01  0.205430D+01 -0.259543D+01
      3  -0.786585D+00 -0.104861D+00 -0.235963D+01  0.841766D+00 -0.384513D+01
               216           217           218           219           220 
      1  -0.883601D+01  0.241747D+01 -0.668094D+00 -0.149955D+01 -0.381278D+00
      2   0.211889D+02 -0.976243D+01  0.142870D+01  0.881472D+01  0.280647D+01
      3   0.417922D+01  0.124136D+02 -0.661117D+01 -0.367701D+01 -0.593580D+01
               221           222           223           224           225 
      1   0.927941D+00 -0.285926D+00 -0.214765D+01  0.121150D+01  0.768464D+00
      2  -0.236808D+01 -0.385397D+01  0.656691D+01 -0.149284D+01 -0.581049D+01
      3   0.270779D+01  0.247323D+01 -0.490701D+01  0.415815D+01  0.396584D+01
               226           227           228           229           230 
      1   0.916247D+00  0.384736D+00 -0.170374D+00  0.568777D+00  0.396810D+01
      2  -0.142063D+01 -0.480685D+00  0.142525D+01 -0.193675D+00 -0.181332D+01
      3  -0.213285D+01 -0.165621D+01 -0.541786D+00 -0.252499D+01 -0.253568D+02
               231           232           233           234 
      1  -0.459109D+01 -0.523153D+00 -0.261991D+00  0.324544D+00
      2   0.350441D+01  0.114641D+01  0.196563D+01  0.294643D+00
      3   0.102588D+01 -0.951719D+00  0.175089D+01 -0.177999D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.149062D+02  0.319823D+01 -0.293513D+01  0.627889D+01 -0.265683D+02
      2   0.991437D+01 -0.479872D+00  0.273059D+01  0.132112D+01  0.325562D+02
      3   0.499188D+01 -0.271836D+01  0.204548D+00 -0.760001D+01 -0.598789D+01
      4  -0.715462D+01  0.994794D+00 -0.122285D+02 -0.248355D+01  0.522702D+02
      5  -0.177306D+02 -0.831958D+01 -0.532901D+01 -0.128724D+02  0.423497D+01
      6  -0.623119D+01 -0.821873D+01 -0.598919D+01 -0.581483D+01  0.611186D+01
                 6             7             8             9            10 
      1  -0.135084D+02 -0.475868D+01 -0.142339D+02 -0.187909D+02  0.160937D+01
      2   0.947478D+01  0.253164D+01  0.179058D+01  0.228004D+01  0.286965D+01
      3   0.403363D+01  0.222704D+01  0.124433D+02  0.165109D+02 -0.447902D+01
      4   0.383584D+01 -0.195367D+02  0.303896D+01  0.104942D+02 -0.187892D+01
      5   0.629010D+01 -0.518730D+01  0.673835D+01  0.948910D+01  0.230908D+01
      6   0.787203D+01 -0.426663D+01  0.115240D+02  0.581495D+01  0.222498D+01
                11            12            13            14            15 
      1  -0.379094D+01 -0.108212D+02  0.274930D+01  0.416063D+02  0.241858D+01
      2  -0.590485D+01  0.106790D+02 -0.774876D+01 -0.629238D+02  0.792134D+01
      3   0.969579D+01  0.142222D+00  0.499946D+01  0.213175D+02 -0.103399D+02
      4   0.359008D+01  0.447849D+01  0.846849D+01 -0.192015D+02  0.498115D+01
      5   0.158211D+01 -0.163380D+01  0.322117D+01  0.161605D+00  0.267084D+01
      6   0.162282D+02  0.138818D+02  0.726559D+01  0.580997D+01 -0.693763D+01
                16            17            18            19            20 
      1  -0.105353D+02 -0.142398D+01  0.222817D+02  0.157611D+02 -0.571145D+00
      2   0.650324D+01  0.243919D+02 -0.772266D+01 -0.128873D+02 -0.205416D+01
      3   0.403204D+01 -0.229679D+02 -0.145591D+02 -0.287381D+01  0.262530D+01
      4   0.474631D+01  0.897344D+01  0.448433D+01 -0.467406D+01  0.537074D+01
      5   0.487659D+00  0.550196D+01  0.682585D+01  0.184326D+01  0.805622D+01
      6   0.129487D+02 -0.209235D+02 -0.278925D+02 -0.242682D+01 -0.588286D+01
                21            22            23            24            25 
      1   0.503839D+01  0.190766D+01  0.998677D+01  0.120788D+02 -0.248556D+01
      2  -0.334561D+01 -0.211538D+01 -0.710487D+01 -0.225532D+01 -0.627724D+00
      3  -0.169279D+01  0.207716D+00 -0.288189D+01 -0.982351D+01  0.311328D+01
      4   0.547527D+01 -0.155475D+01 -0.538010D+02 -0.146426D+02 -0.196145D+01
      5   0.540782D+01  0.540573D+01 -0.972208D+01 -0.117209D+02  0.139363D+02
      6  -0.434958D+00 -0.687075D+00 -0.766364D+01 -0.116657D+01 -0.675719D+00
                26            27            28            29            30 
      1   0.996227D+01  0.116243D+02 -0.342806D+02 -0.226656D+01 -0.167291D+02
      2  -0.101319D+02 -0.126086D+02  0.267038D+02 -0.661345D+01  0.105378D+02
      3   0.169623D+00  0.984343D+00  0.757680D+01  0.888001D+01  0.619126D+01
      4  -0.175529D+02 -0.128909D+02 -0.373559D+01  0.315229D+01 -0.109507D+02
      5  -0.101614D+02 -0.142943D+02 -0.119471D+02 -0.149534D+02 -0.171833D+02
      6   0.459045D+01 -0.502117D+01  0.218624D+01  0.885240D+01  0.738779D+01
                31            32            33            34            35 
      1  -0.175344D+02  0.146444D+02 -0.182637D+02 -0.194101D+02 -0.214280D+02
      2   0.727495D+01 -0.267346D+02  0.179661D+02  0.789721D+01  0.260190D+02
      3   0.102594D+02  0.120902D+02  0.297601D+00  0.115129D+02 -0.459107D+01
      4  -0.181921D+01  0.379129D+02  0.169018D+01 -0.123218D+02  0.334523D+00
      5  -0.147037D+02 -0.501964D+01  0.113479D+02 -0.276623D+02  0.253069D+02
      6   0.326631D+01  0.130321D+02 -0.885242D+01  0.130522D+02 -0.178906D+02
                36            37            38            39            40 
      1  -0.136707D+02 -0.130894D+02 -0.377274D+01  0.148017D+01 -0.130480D+02
      2   0.107987D+02  0.881613D+01  0.306272D+01 -0.279799D+01  0.102441D+01
      3   0.287197D+01  0.427330D+01  0.710027D+00  0.131782D+01  0.120236D+02
      4   0.223718D+02  0.625542D+01  0.195241D+01  0.473455D+01  0.152173D+01
      5   0.320458D+02  0.423964D+01 -0.437063D+00 -0.277857D+00 -0.596545D+00
      6  -0.176162D+02  0.636491D+01 -0.865577D-01  0.348110D+01 -0.479213D+00
                41            42            43            44            45 
      1   0.207377D+02  0.365553D+01  0.913911D+01  0.110156D+02  0.886269D+00
      2  -0.123244D+02 -0.991878D+01 -0.277514D+01 -0.134007D+02  0.415944D+01
      3  -0.841335D+01  0.626325D+01 -0.636397D+01  0.238511D+01 -0.504571D+01
      4  -0.744087D+01 -0.131972D+01  0.907428D+01  0.509803D-01  0.141247D+01
      5   0.108476D+01  0.461370D+01 -0.513974D+01  0.143450D+01 -0.714568D+00
      6  -0.130586D+02 -0.181782D+02 -0.458243D+00 -0.107421D+02  0.346053D+01
                46            47            48            49            50 
      1   0.761523D+00 -0.879586D+01 -0.146060D+02 -0.103501D+02 -0.383748D+01
      2  -0.739713D+01  0.231482D+01  0.108851D+02  0.801435D+01  0.329904D+01
      3   0.663560D+01  0.648105D+01  0.372094D+01  0.233570D+01  0.538437D+00
      4  -0.149542D+02  0.296491D+01 -0.900063D+01  0.535768D+01  0.194263D+02
      5  -0.172531D+02 -0.412178D+01  0.798700D+01  0.112156D+01 -0.639233D+01
      6  -0.959375D+01 -0.547872D-01  0.157406D+01 -0.726782D+00 -0.426701D+01
                51            52            53            54            55 
      1  -0.556010D+01 -0.204775D+02 -0.787666D+01  0.105120D+02 -0.987115D+01
      2  -0.206567D+01  0.112401D+02  0.332513D+01 -0.513723D+01 -0.579370D+01
      3   0.762576D+01  0.923741D+01  0.455153D+01 -0.537481D+01  0.156648D+02
      4  -0.816735D+01 -0.765226D+01 -0.910747D+01  0.211433D+01  0.227453D+02
      5  -0.428073D+01  0.101843D+02 -0.128109D+01  0.404368D+01  0.291118D+00
      6   0.728922D+01  0.502812D+01 -0.510333D+00  0.321397D+01  0.116407D+01
                56            57            58            59            60 
      1   0.779003D+01  0.336709D+01  0.349752D+01 -0.137740D+02  0.321919D+01
      2   0.561226D+01 -0.107032D+02  0.473358D+01  0.100160D+02 -0.105061D+01
      3  -0.134023D+02  0.733614D+01 -0.823110D+01  0.375798D+01 -0.216859D+01
      4  -0.250032D+02  0.169100D+01 -0.232532D+02  0.663237D+01  0.302973D+01
      5   0.210571D+01  0.615822D+00 -0.154519D+01  0.237963D+01  0.445019D+00
      6  -0.982634D+01 -0.614433D+01 -0.645307D+01  0.304782D+01 -0.201828D+00
                61            62            63            64            65 
      1   0.130551D+01  0.601208D+01  0.170875D+01  0.769191D+01  0.871145D+01
      2  -0.629277D+01 -0.743460D+01  0.874258D+01  0.735537D+01  0.192217D+01
      3   0.498726D+01  0.142251D+01 -0.104513D+02 -0.150473D+02 -0.106336D+02
      4   0.429628D+01  0.465308D+01 -0.775151D+01 -0.472401D+01 -0.365967D+00
      5   0.298368D+01 -0.201643D+01 -0.131934D+01 -0.340188D+01  0.388646D+01
      6  -0.530824D+01  0.576199D+01  0.739406D+01  0.748648D+01  0.151856D+02
                66            67            68            69            70 
      1  -0.356843D+01  0.128253D+02 -0.262607D+01 -0.185538D+01  0.123034D+01
      2   0.153526D+02  0.431170D+01 -0.279369D+01 -0.176248D+01  0.114761D+02
      3  -0.117841D+02 -0.171370D+02  0.541976D+01  0.361785D+01 -0.127065D+02
      4   0.298331D+01  0.269444D+01 -0.302546D+01  0.870398D+01 -0.247486D+01
      5  -0.196240D+02  0.114301D+01  0.597760D+01 -0.144408D+02 -0.142598D+02
      6  -0.113251D+02  0.135204D+02 -0.508833D+01  0.499843D+01 -0.502188D+01
                71            72            73            74            75 
      1  -0.647291D+01 -0.457121D+01  0.351563D+02  0.993546D+01  0.107429D+02
      2   0.441683D+01 -0.117522D+01 -0.195378D+02 -0.471822D+01 -0.931814D+01
      3   0.205608D+01  0.574643D+01 -0.156185D+02 -0.521724D+01 -0.142474D+01
      4   0.546583D+01 -0.208677D+00  0.276664D+02  0.148055D+02  0.119498D+02
      5  -0.657952D+01 -0.504492D+01  0.240871D+02  0.927911D+01  0.170605D+02
      6  -0.174348D+00  0.113933D+01  0.824638D+01  0.522110D+01  0.578924D+01
                76            77            78            79            80 
      1   0.465135D+01  0.843193D+00 -0.273485D+00  0.119734D+02  0.354688D+01
      2  -0.676796D+00  0.235694D+01  0.217821D+00 -0.847880D+01  0.451314D+00
      3  -0.397456D+01 -0.320013D+01  0.556644D-01 -0.349460D+01 -0.399819D+01
      4   0.138667D+02  0.123808D+02  0.895238D+01  0.140404D+02  0.125724D+02
      5   0.670032D+01  0.804682D+01  0.673989D+01  0.153953D+02  0.540891D+01
      6   0.520651D+01  0.665620D+01  0.565943D+01  0.630254D+01  0.496171D+01
                81            82            83            84            85 
      1   0.554635D+01 -0.144125D+01 -0.509585D+01  0.515595D+00 -0.274713D+01
      2  -0.556918D+01  0.737375D+01  0.130846D+02 -0.779409D+00  0.848439D+01
      3   0.228330D-01 -0.593251D+01 -0.798877D+01  0.263814D+00 -0.573726D+01
      4   0.823443D+01  0.608431D+01  0.147084D+02 -0.166845D+01  0.816924D+01
      5   0.110330D+02 -0.331134D+00  0.451931D+00  0.235882D+01 -0.751948D-01
      6   0.533488D+01 -0.167507D+01 -0.138966D+01 -0.224590D+00 -0.545705D+00
                86            87            88            89            90 
      1  -0.471149D+02  0.280964D+01  0.153667D+01  0.123188D+02 -0.824797D+01
      2   0.854277D+02 -0.712361D+01 -0.232691D+01 -0.247431D+02  0.914148D+01
      3  -0.383128D+02  0.431396D+01  0.790238D+00  0.124243D+02 -0.893509D+00
      4   0.209169D+02 -0.225181D+01 -0.325825D+01 -0.607834D+01  0.233618D+01
      5   0.755339D-01  0.607187D+00  0.161338D+01  0.102394D+01 -0.162018D+01
      6  -0.594354D+01  0.844386D+01 -0.385689D+00  0.152031D+02 -0.243451D+01
                91            92            93            94            95 
      1  -0.225828D+01  0.348944D+01  0.569721D+01  0.159553D+01 -0.150278D+02
      2  -0.150250D+01 -0.167689D+01 -0.241547D+01 -0.143026D+01  0.158944D+02
      3   0.376078D+01 -0.181254D+01 -0.328173D+01 -0.165271D+00 -0.866621D+00
      4  -0.352862D+01  0.517352D+01  0.506073D+01  0.138050D+01  0.856424D+00
      5  -0.318379D+01  0.337359D+01  0.704360D+01  0.790917D+00 -0.105205D+01
      6   0.626362D+01 -0.699563D+01 -0.869460D+01 -0.367239D+01  0.117424D+02
                96            97            98            99           100 
      1  -0.895825D+01  0.718249D+01 -0.174305D+02 -0.283647D+02  0.703772D+02
      2   0.644580D+01 -0.142558D+01  0.679273D+01  0.147976D+01 -0.392610D+02
      3   0.251245D+01 -0.575691D+01  0.106378D+02  0.268849D+02 -0.311162D+02
      4  -0.147334D+01  0.355104D+01 -0.205073D+01 -0.227435D+01 -0.100174D+02
      5  -0.125425D+01  0.557847D+01 -0.281170D+01 -0.433044D+01  0.174648D+02
      6   0.141261D+02 -0.787468D+01  0.268473D+02  0.399927D+02 -0.558704D+01
               101           102           103           104           105 
      1   0.247779D+01  0.163060D+02  0.207216D+02  0.462778D+01  0.507172D+01
      2  -0.300662D+01 -0.100808D+02 -0.124053D+02 -0.157769D+01 -0.457760D+01
      3   0.528829D+00 -0.622515D+01 -0.831625D+01 -0.305009D+01 -0.494121D+00
      4   0.786899D+01 -0.217836D+01  0.541862D+01  0.342753D+01  0.285756D+01
      5   0.300262D+00  0.145050D+02  0.496304D+01  0.349724D+01  0.383598D+01
      6  -0.215727D+00 -0.483394D+01 -0.636836D+00 -0.115245D+01  0.868054D+00
               106           107           108           109           110 
      1   0.257880D+02  0.969096D+00  0.124094D+02  0.149352D+02 -0.522920D+01
      2  -0.160316D+02 -0.321559D+01 -0.102894D+02 -0.105008D+02  0.344209D+01
      3  -0.975640D+01  0.224649D+01 -0.212007D+01 -0.443439D+01  0.178710D+01
      4  -0.493462D+01  0.503503D+01 -0.301311D+01 -0.944555D+01  0.610434D+01
      5   0.185453D+02 -0.101760D+01  0.100903D+02 -0.128945D+02  0.804642D+01
      6  -0.467240D+01  0.256812D+01 -0.191746D+01  0.545337D+01 -0.399448D+01
               111           112           113           114           115 
      1  -0.802931D+01 -0.158848D+01 -0.101481D+01  0.190327D+01 -0.146670D+02
      2   0.554913D+01 -0.543946D+00  0.530492D+01 -0.999473D-01  0.114773D+02
      3   0.248017D+01  0.213243D+01 -0.429011D+01 -0.180332D+01  0.318971D+01
      4   0.886957D+01  0.108428D+02 -0.170128D+02 -0.102337D+02  0.193196D+02
      5   0.157554D+02  0.716864D+01 -0.921568D+01 -0.103794D+02  0.268524D+02
      6  -0.589418D+01 -0.461365D+01  0.557524D+01  0.104325D+02 -0.118732D+02
               116           117           118           119           120 
      1   0.631455D+01  0.404806D+01 -0.159754D+01 -0.950769D+01  0.465323D+01
      2  -0.508583D+01 -0.141818D+02  0.228338D+01  0.112129D+02 -0.291394D+01
      3  -0.122873D+01  0.101338D+02 -0.685837D+00 -0.170519D+01 -0.173929D+01
      4  -0.191651D+02 -0.205056D+02 -0.292891D+00 -0.204452D+01  0.129119D-01
      5  -0.222660D+02 -0.465030D+02  0.235226D+01  0.181303D+01  0.138707D+01
      6   0.164929D+02  0.251980D+02 -0.214672D+01 -0.334041D+01  0.124412D+01
               121           122           123           124           125 
      1  -0.708831D+01 -0.227397D+02  0.809153D+01  0.551185D+01  0.103686D+02
      2   0.569854D+00  0.454095D+02 -0.104260D+02 -0.128549D+01 -0.158913D+02
      3   0.651846D+01 -0.226697D+02  0.233444D+01 -0.422636D+01  0.552276D+01
      4   0.138044D+02 -0.443969D+02  0.754206D+01 -0.356331D+01  0.135711D+02
      5   0.478378D+00  0.108197D+02 -0.878404D+01  0.615615D+01 -0.129955D+02
      6   0.191270D+01 -0.162064D+02  0.101943D+02 -0.312656D+01  0.151769D+02
               126           127           128           129           130 
      1  -0.432474D+01  0.183915D+00 -0.100446D+01 -0.358828D+00  0.650250D+00
      2   0.468230D+01  0.232849D+01  0.635841D+00  0.424912D+00 -0.162376D+01
      3  -0.357561D+00 -0.251240D+01  0.368619D+00 -0.660846D-01  0.973506D+00
      4  -0.102033D+02 -0.786506D+00  0.809649D+01  0.226852D+01  0.705767D+01
      5   0.217164D+01 -0.108619D+01  0.345424D+01  0.385395D+01  0.326762D+01
      6  -0.570724D+01  0.434493D+01 -0.303107D+00  0.761543D+00 -0.310610D+01
               131           132           133           134           135 
      1  -0.224527D+02 -0.105505D+02  0.430649D+00 -0.902407D+01 -0.104196D+02
      2   0.271387D+02  0.818172D+01  0.407008D+00  0.628082D+01  0.212180D+01
      3  -0.468600D+01  0.236878D+01 -0.837657D+00  0.274325D+01  0.829784D+01
      4  -0.158660D+01 -0.129595D+01  0.195094D+01 -0.128861D+01  0.200407D+00
      5  -0.204061D+01 -0.944385D+00  0.303763D+01 -0.873686D+00 -0.202441D+01
      6   0.256908D+02  0.168118D+02 -0.100648D+01  0.154414D+02  0.115443D+02
               136           137           138           139           140 
      1   0.575829D+01  0.648483D+01  0.110365D+02  0.926393D+01  0.134971D+02
      2   0.160528D+02 -0.549705D+01 -0.108905D+02 -0.102354D+02 -0.190146D+02
      3  -0.218111D+02 -0.987781D+00 -0.145985D+00  0.971417D+00  0.551753D+01
      4   0.938529D+01  0.241699D+01  0.227027D+01  0.231627D+00 -0.153886D+02
      5   0.136546D+02 -0.823993D+01 -0.214023D+02 -0.121117D+02  0.606728D+01
      6  -0.582245D+01  0.303928D+01  0.386982D+01  0.533392D+01  0.277308D+02
               141           142           143           144           145 
      1  -0.191277D+01  0.925431D+01  0.177763D+01 -0.143818D+02 -0.171662D+02
      2   0.165418D+02 -0.891823D+01  0.940562D+01  0.204387D+01  0.139485D+02
      3  -0.146290D+02 -0.336082D+00 -0.111833D+02  0.123379D+02  0.321774D+01
      4   0.692029D+01  0.363077D+01  0.439702D+01  0.174150D+01  0.212834D+02
      5   0.892365D+01 -0.205388D+02  0.483119D+01  0.362343D+01  0.253046D+02
      6  -0.943240D+01  0.131543D+01 -0.325618D+01 -0.120453D+02  0.746066D+01
               146           147           148           149           150 
      1   0.182181D+02  0.247650D+02  0.294207D+02  0.119476D+02 -0.298151D+01
      2  -0.110063D+02 -0.110792D+02 -0.216735D+02 -0.278598D+02  0.356608D+01
      3  -0.721176D+01 -0.136858D+02 -0.774725D+01  0.159122D+02 -0.584569D+00
      4   0.220101D+01  0.401152D+01 -0.477088D+01 -0.346069D+02  0.671303D+01
      5   0.151417D+01 -0.960775D+01 -0.131890D+01  0.600022D+01  0.969099D+01
      6   0.653665D+00 -0.192645D+01  0.299248D+00 -0.114617D+01  0.292015D+01
               151           152           153           154           155 
      1   0.297483D+02 -0.206381D+01 -0.128336D+02  0.224060D+02 -0.892832D+01
      2  -0.122137D+02  0.306032D+01  0.150462D+02  0.340663D+00 -0.776092D+01
      3  -0.175346D+02 -0.996509D+00 -0.221257D+01 -0.227467D+02  0.166892D+02
      4   0.277540D+01  0.693645D+01  0.586355D+01 -0.346551D+02  0.294062D+02
      5  -0.148104D+02  0.764202D+01 -0.240174D+02  0.292909D+01 -0.259988D+01
      6  -0.358026D+01  0.374408D+01 -0.755735D+01 -0.338425D+01  0.349287D+01
               156           157           158           159           160 
      1  -0.592208D+00 -0.394226D+01 -0.220183D+00 -0.175181D-01 -0.742681D+00
      2   0.971583D+00 -0.974514D+01  0.175564D+02  0.789344D+00  0.761707D+00
      3  -0.379375D+00  0.136874D+02 -0.173362D+02 -0.771826D+00 -0.190259D-01
      4  -0.984753D+00  0.244710D+02 -0.265017D+02  0.336346D+00 -0.371760D+00
      5   0.581456D+01 -0.203429D+01  0.153414D+01 -0.212146D+01  0.618743D+01
      6  -0.318288D+01  0.282833D+01 -0.331224D+01  0.502217D+01 -0.414877D+01
               161           162           163           164           165 
      1   0.111790D+00  0.142415D+00  0.258837D+01  0.118080D+01 -0.452970D+01
      2   0.143398D+01  0.387833D+00 -0.136503D+02 -0.198512D+01 -0.149808D+02
      3  -0.154577D+01 -0.530248D+00  0.110619D+02  0.804327D+00  0.195105D+02
      4  -0.335854D+00 -0.526106D+01 -0.122613D+01  0.373824D+01 -0.232209D+01
      5  -0.414588D+01  0.214338D+00  0.188684D+02  0.563589D+00  0.200542D+02
      6   0.637380D+01 -0.230296D+01 -0.377919D+01  0.253288D+01 -0.415214D+01
               166           167           168           169           170 
      1  -0.135489D+01 -0.713579D+00 -0.143277D+01 -0.318539D+01  0.556053D+00
      2  -0.237464D+01 -0.240289D+01 -0.326954D+01 -0.123299D+02 -0.129651D+01
      3   0.372952D+01  0.311647D+01  0.470230D+01  0.155153D+02  0.740461D+00
      4   0.300451D+01  0.517673D+00  0.153962D+01 -0.146271D+01  0.194472D+01
      5   0.170093D+01  0.342727D+01  0.308378D+01  0.171294D+02  0.151820D+01
      6   0.220170D+01  0.120531D+01  0.532804D+01 -0.216491D+01  0.503137D+01
               171           172           173           174           175 
      1  -0.136709D+02 -0.302855D+01 -0.631591D+01  0.911553D+01 -0.479758D+01
      2  -0.214383D+02 -0.365281D+01  0.111176D+01  0.345270D+01  0.552879D+00
      3   0.351092D+02  0.668136D+01  0.520415D+01 -0.125682D+02  0.424471D+01
      4  -0.199951D+01  0.635892D+01  0.552457D+01 -0.575279D+01  0.490706D+01
      5   0.223910D+02 -0.135658D+02 -0.682302D+01  0.144841D+02 -0.610371D+01
      6  -0.605867D+01 -0.988597D+01 -0.117914D+02  0.132008D+02 -0.875907D+01
               176           177           178           179           180 
      1  -0.930750D+01  0.955201D+01  0.443479D+01  0.721862D+01 -0.126520D+02
      2   0.687825D+01 -0.302499D+00  0.201009D+01  0.245255D+00 -0.693797D+01
      3   0.242925D+01 -0.924951D+01 -0.644487D+01 -0.746388D+01  0.195899D+02
      4   0.402700D+01 -0.380163D+01 -0.252208D+01 -0.299777D+01  0.328027D+01
      5  -0.590801D+01  0.674964D+01  0.995007D+01  0.475420D+01 -0.920542D+01
      6  -0.134799D+02  0.141707D+02  0.690806D+01  0.103291D+02 -0.151733D+02
               181           182           183           184           185 
      1  -0.457005D+01 -0.403637D+00 -0.111066D+02 -0.236362D+01 -0.325703D+01
      2  -0.506002D+01 -0.442875D+00 -0.507772D+01  0.987272D+00  0.221283D+01
      3   0.963006D+01  0.846512D+00  0.161843D+02  0.137634D+01  0.104420D+01
      4  -0.774735D+01 -0.560298D+00 -0.253557D+01 -0.576733D+00  0.196142D+00
      5   0.120065D+02  0.264325D+01  0.657323D+01  0.446219D+01  0.100370D+01
      6   0.212083D+01  0.430361D+01 -0.287486D+01  0.262599D+01 -0.143970D+00
               186           187           188           189           190 
      1  -0.304056D+01 -0.652450D+01 -0.175232D+01 -0.785901D+01 -0.797145D+00
      2  -0.407258D+01 -0.382618D+01 -0.176120D+01 -0.687165D+01  0.592850D+00
      3   0.711314D+01  0.103507D+02  0.351352D+01  0.147307D+02  0.204295D+00
      4  -0.916289D+00 -0.275908D+01  0.231378D+00 -0.276130D+01  0.259195D+01
      5  -0.119989D+01  0.913264D+01  0.512918D+00  0.556887D+01 -0.334958D+01
      6   0.273563D+01 -0.953891D-01  0.327487D+01  0.119089D+01 -0.329700D+01
               191           192           193           194           195 
      1   0.183803D+01 -0.145973D+01  0.218085D+00 -0.219202D+02  0.118878D+02
      2  -0.313259D+00  0.181736D+01  0.209094D+01  0.312552D+02 -0.658702D+01
      3  -0.152477D+01 -0.357630D+00 -0.230902D+01 -0.933503D+01 -0.530080D+01
      4   0.688745D+01 -0.239887D+01  0.877294D+01  0.184660D+02 -0.682367D+01
      5  -0.329138D+01  0.557709D+01 -0.462688D+01 -0.636062D+01  0.533758D+01
      6  -0.193321D+01  0.579543D+00 -0.463142D+01 -0.366410D+02  0.200707D+02
               196           197           198           199           200 
      1  -0.527917D+00  0.522732D+01 -0.499688D+01  0.149895D+02 -0.303388D+01
      2   0.149181D+01 -0.788898D+00  0.123963D+01 -0.208869D+02  0.381071D+01
      3  -0.963895D+00 -0.443842D+01  0.375726D+01  0.589742D+01 -0.776831D+00
      4  -0.984967D+00 -0.225608D+01  0.287141D+01 -0.110241D+01  0.515321D+01
      5   0.403002D+01  0.232746D+01 -0.305719D+01 -0.294684D+02  0.500288D+01
      6   0.101872D+01  0.112367D+02 -0.732542D+01  0.372638D+01 -0.627992D+01
               201           202           203           204           205 
      1  -0.401204D+01 -0.494351D+01 -0.733405D-01 -0.135368D+00 -0.236358D+01
      2   0.172666D+02  0.715500D+01 -0.107715D+01 -0.854624D+01  0.126881D+02
      3  -0.132546D+02 -0.221150D+01  0.115049D+01  0.868161D+01 -0.103245D+02
      4   0.620347D-01  0.481954D+01 -0.250636D+01 -0.446132D+01 -0.738092D+00
      5   0.269313D+02  0.111559D+02 -0.695781D+01 -0.107819D+02  0.202971D+02
      6  -0.119323D+01 -0.585378D+01  0.205945D+01  0.676767D+01 -0.171842D+01
               206           207           208           209           210 
      1  -0.118446D+00 -0.234577D+01  0.795948D+01 -0.251763D+01  0.536880D+01
      2  -0.393626D+01 -0.173585D+02 -0.770940D+01  0.144318D+01 -0.607890D+01
      3   0.405471D+01  0.197043D+02 -0.250077D+00  0.107445D+01  0.710101D+00
      4  -0.280976D+01 -0.124161D+01 -0.123209D+01  0.135531D+01  0.807114D+00
      5  -0.415659D+01 -0.230709D+02  0.787245D+01 -0.688012D+00  0.135973D+02
      6   0.552717D+01  0.219830D+01  0.968090D+00  0.406689D+00  0.218559D+01
               211           212           213           214           215 
      1  -0.694060D+01 -0.127134D+01 -0.918168D+00  0.108273D+02  0.969467D+00
      2   0.450696D+01  0.164899D+01  0.189818D+01 -0.932535D+01  0.152639D+01
      3   0.243364D+01 -0.377653D+00 -0.980012D+00 -0.150195D+01 -0.249586D+01
      4   0.240034D+01  0.143700D+01  0.404658D+01  0.427231D+01  0.662990D+01
      5  -0.175316D+01  0.355869D+01 -0.432700D+01  0.192733D+02 -0.101279D+01
      6   0.700418D+00 -0.102455D-01  0.294154D+01  0.466410D+01  0.403259D+01
               216           217           218           219           220 
      1   0.347516D+01  0.640917D+02 -0.753082D+01 -0.163600D+02 -0.227783D+02
      2  -0.170994D+02 -0.346615D+02  0.524613D+01  0.918967D+01  0.131927D+02
      3   0.136242D+02 -0.294303D+02  0.228470D+01  0.717035D+01  0.958552D+01
      4   0.122859D+00 -0.883899D+00  0.853219D+01  0.606356D+00  0.100156D+02
      5   0.381267D+02 -0.164451D+02  0.176769D+01  0.130878D+02  0.488273D+01
      6   0.110808D+02 -0.360448D+01  0.293891D+00  0.303525D+01 -0.228378D-01
               221           222           223           224           225 
      1   0.594432D+01  0.436165D+01 -0.282161D+02  0.166812D+01  0.121937D+02
      2  -0.588595D+00 -0.304633D+01  0.157740D+02 -0.211959D+01 -0.100268D+02
      3  -0.535572D+01 -0.131532D+01  0.124421D+02  0.451473D+00 -0.216690D+01
      4  -0.255859D+01 -0.417355D+01 -0.864413D+00 -0.633164D+01 -0.177146D+01
      5  -0.390079D+01 -0.609478D+01  0.170514D+02 -0.253049D+01 -0.109327D+02
      6   0.392141D+00  0.548470D+00  0.274792D+01  0.693752D+00 -0.122308D+01
               226           227           228           229           230 
      1   0.499355D+01  0.520749D+01 -0.251710D+01  0.581359D+01 -0.129344D+02
      2   0.792961D+00 -0.132305D+01  0.137424D+01  0.611959D+01  0.394832D+02
      3  -0.578651D+01 -0.388444D+01  0.114286D+01 -0.119332D+02 -0.265488D+02
      4   0.549361D+01  0.950348D+01 -0.627088D+00  0.219462D+02  0.493853D+02
      5  -0.221981D+01  0.267058D+00  0.206688D+01  0.127948D+01 -0.129954D+01
      6  -0.577026D+00  0.102703D+00 -0.120136D+00  0.118741D+01  0.369308D+01
               231           232           233           234 
      1   0.126956D+01 -0.469904D+01  0.698512D+00 -0.434008D+00
      2  -0.172051D+01  0.136866D+01 -0.242344D+01  0.155740D+01
      3   0.450955D+00  0.333038D+01  0.172493D+01 -0.112339D+01
      4  -0.124192D+01 -0.225094D+01 -0.386053D+01  0.435476D+01
      5   0.599331D+01  0.446917D+01  0.467339D+01  0.856934D+00
      6   0.667170D+01  0.221691D+01  0.621268D+01 -0.653769D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x         -0.401354D-01     -0.102014D+00     -0.340282D+00
   y         -0.467110D-01     -0.118727D+00     -0.396032D+00
   z         -0.298293D-01     -0.758186D-01     -0.252904D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.117628D+03      0.174307D+02      0.193943D+02
   yx        -0.373203D+00     -0.553030D-01     -0.615329D-01
   yy         0.114130D+03      0.169123D+02      0.188175D+02
   zx         0.401355D+00      0.594747D-01      0.661746D-01
   zy         0.433345D+01      0.642151D+00      0.714489D+00
   zz         0.102521D+03      0.151920D+02      0.169034D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118441D+03      0.175512D+02      0.195283D+02
   aniso      0.163878D+02      0.242843D+01      0.270199D+01
   xx         0.124693D+03      0.184776D+02      0.205591D+02
   yx        -0.174779D+00     -0.258995D-01     -0.288171D-01
   yy         0.121527D+03      0.180085D+02      0.200371D+02
   zx         0.345810D+00      0.512438D-01      0.570164D-01
   zy         0.463368D+01      0.686641D+00      0.763991D+00
   zz         0.109103D+03      0.161675D+02      0.179887D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.11970439          0.28759085         -3.25621449
     6         -1.12813503         -1.45880060         -3.09170145
     6          2.31428899          0.99568301         -1.15442982
     6          4.50336006          2.77770400         -1.07728152
     6          1.35558775         -0.10966715          1.30605507
     6         -1.60594247          0.11872988          1.44856461
     6         -1.59661981         -2.24152505         -0.34074717
     6          0.96616146         -2.98731495          0.86507126
     1          1.70352601          0.97621843         -5.09635134
     1         -0.81818787         -3.14500436         -4.25338500
     1         -2.80794615         -0.53424368         -3.87599503
     1          5.03322410          3.41539256         -2.96384426
     1          6.15359602          1.88972941         -0.20101976
     1          4.05278469          4.44084405          0.06844186
     1          2.44518721          0.51387979          2.94091691
     6         -2.86955020          2.54029520          0.55253151
     6         -2.61744122         -0.51606640          4.07881181
     1         -3.17968603         -3.55414210         -0.17674992
     1          0.75278542         -4.05901271          2.60330337
     1          2.34304751         -3.91610837         -0.35094306
     1         -2.19085586          3.16268051         -1.28411378
     1         -2.52916758          4.06706835          1.90231013
     1         -4.91448477          2.27232330          0.42907070
     1         -1.81228831         -2.23749301          4.86695002
     1         -4.66795611         -0.75681813          4.01471388
     1         -2.21208090          1.02492136          5.39274449

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.684292D-01      0.173930D+00      0.580167D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.113377D+03      0.168007D+02      0.186933D+02
   yx         0.664516D+01      0.984712D+00      0.109564D+01
   yy         0.105289D+03      0.156023D+02      0.173599D+02
   zx        -0.212896D+01     -0.315480D+00     -0.351018D+00
   zy         0.185281D+01      0.274559D+00      0.305488D+00
   zz         0.115613D+03      0.171320D+02      0.190620D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118441D+03      0.175512D+02      0.195283D+02
   aniso      0.163878D+02      0.242843D+01      0.270199D+01
   xx         0.120365D+03      0.178363D+02      0.198455D+02
   yx         0.682550D+01      0.101143D+01      0.112537D+01
   yy         0.111909D+03      0.165831D+02      0.184512D+02
   zx        -0.210345D+01     -0.311699D+00     -0.346812D+00
   zy         0.216794D+01      0.321256D+00      0.357445D+00
   zz         0.123050D+03      0.182341D+02      0.202882D+02

 ----------------------------------------------------------------------
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 DON'T WORRY CHARLIE BROWN...WE LEARN MORE FROM LOSING 
 THAN WE DO FROM WINNING.
 THEN THAT MAKES ME THE SMARTEST PERSON IN THE WORLD...
 CHARLES SCHULZ 'PEANUTS'
 Job cpu time:       0 days 16 hours 54 minutes 13.5 seconds.
 Elapsed time:       0 days  1 hours  3 minutes 28.6 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 20:26:00 2021.
